Compounds and spectra in PhotochemCAD 3.0 database

Show entries

Photochemcad

ID   Compound   Class   Absorption   Emission  
A01BenzeneAromatic Hydrocarbons254.75285
A02TolueneAromatic Hydrocarbons261.75285
A03o-XyleneAromatic Hydrocarbons263291
A04m-XyleneAromatic Hydrocarbons265289
A05p-XyleneAromatic Hydrocarbons275291
A06MesityleneAromatic Hydrocarbons265290
A07DureneAromatic Hydrocarbons278295
A08PentamethylbenzeneAromatic Hydrocarbons271295
A09HexamethylbenzeneAromatic Hydrocarbons271294
A10PhenolAromatic Hydrocarbons270.75NA
A11AnisoleAromatic Hydrocarbons220295
A12BenzonitrileAromatic Hydrocarbons222295
A13BenzaldehydeAromatic Hydrocarbons242NA
A14Benzoic acidAromatic Hydrocarbons227289
A15AcetophenoneAromatic Hydrocarbons241NA
A16AnilineAromatic Hydrocarbons288313
A17N,N-Dimethyl-anilineAromatic Hydrocarbons251333
A18Phenylhydrazine HydrochlorideAromatic Hydrocarbons279NA
A19ChlorobenzeneAromatic Hydrocarbons265295
A20IodobenzeneAromatic Hydrocarbons228NA
A21NitrobenzeneAromatic Hydrocarbons258303
A22StyreneAromatic Hydrocarbons248302
A23PhenylacetyleneAromatic Hydrocarbons236295
A241,4-DiethynylbenzeneAromatic Hydrocarbons274303
A25Phenylpropargyl aldehydeAromatic Hydrocarbons277NA
A26Phenylboronic acidAromatic Hydrocarbons227295
A27VanillinAromatic Hydrocarbons222NA
A283-HydroxyacetophenoneAromatic Hydrocarbons218NA
A29Ethyl 4-(dimethylamino)benzoateAromatic Hydrocarbons310.25NA
A30GallacetophenoneAromatic Hydrocarbons291NA
A31Terephthalic acidAromatic Hydrocarbons240NA
A32p-PhenylenediamineAromatic Hydrocarbons251390
A33TetraphenylmethaneAromatic Hydrocarbons263315
A34N-PhenylbenzylamineAromatic Hydrocarbons245323
A35trans-ChalconeAromatic Hydrocarbons302NA
A36BenzophenoneAromatic Hydrocarbons252NA
A374,4'-DihydroxybenzophenoneAromatic Hydrocarbons283NA
A38Diethyl phthalateAromatic Hydrocarbons225NA
A391,2,4,5-TetracyanobenzeneAromatic Hydrocarbons316319
A40HexafluorobenzeneAromatic Hydrocarbons230361
A41FerroceneAromatic Hydrocarbons442NA
B01BiphenylOligophenylenes247.5NA
B02p-TerphenylOligophenylenes276.25NA
B03p-QuaterphenylOligophenylenes294.75NA
B04p-QuinquephenylOligophenylenes312388
B051,3,5-TriphenylbenzeneOligophenylenes251349
B06BenzidineOligophenylenes206396
B073,3'-DimethylbenzidineOligophenylenes209385
B083,3',5,5-TetramethylbenzidineOligophenylenes212382
B092,5-Diphenyloxazole, [PPO]Oligophenylenes302.75NA
B101,4-Bis(5-phenyl-2-oxazolyl)benzene, [POPOP]Oligophenylenes359NA
B111,2,3,4,5-Pentaphenyl-1,3-cyclopentadieneOligophenylenes245450
B12rac-BINAPOligophenylenes223NA
B13(R)-BINOLOligophenylenes278359
C01NaphthalenePolycyclic Aromatic Hydrocarbons 275NA
C02AnthracenePolycyclic Aromatic Hydrocarbons 356.25NA
C03TetracenePolycyclic Aromatic Hydrocarbons 475478
C04PentacenePolycyclic Aromatic Hydrocarbons 578582
C05PhenanthrenePolycyclic Aromatic Hydrocarbons 252364
C06PyrenePolycyclic Aromatic Hydrocarbons 241NA
C07TriphenylenePolycyclic Aromatic Hydrocarbons 258353
C089,10-DiphenylanthracenePolycyclic Aromatic Hydrocarbons 372.5NA
C099,10-Bis(phenylethynyl)anthracenePolycyclic Aromatic Hydrocarbons 270.25NA
C10RubrenePolycyclic Aromatic Hydrocarbons 303557
C111,8-Naphthalic anhydridePolycyclic Aromatic Hydrocarbons 228376
C122-AminonaphthalenePolycyclic Aromatic Hydrocarbons 239395
C132,3-DiaminonaphthalenePolycyclic Aromatic Hydrocarbons 245377
C148-Anilino-1-naphthalenesulfonic acidPolycyclic Aromatic Hydrocarbons 218485
C151,4,5,8-Naphthalenetetracarboxylic dianhydridePolycyclic Aromatic Hydrocarbons 227372
C16PyraninePolycyclic Aromatic Hydrocarbons 235512
D011,2-DiphenylacetylenePolyenes/Polyynes 278.75NA
D02cis-StilbenePolyenes/Polyynes 276NA
D03trans-StilbenePolyenes/Polyynes 293.75NA
D041,4-DiphenylbutadiynePolyenes/Polyynes 326NA
D051,4-DiphenylbutadienePolyenes/Polyynes 330NA
D061,6-DiphenylhexatrienePolyenes/Polyynes 353.25NA
D074-Dimethylamino-4'-nitrostilbenePolyenes/Polyynes 432.25NA
D08CurcuminPolyenes/Polyynes 425542
D09all trans-RetinalPolyenes/Polyynes 372484
D10Beta-carotenePolyenes/Polyynes 451NA
E01PyridineHeterocycles251NA
E02Pyridine N-oxideHeterocycles276NA
E032-AcetylpyridineHeterocycles227NA
E044-DimethylaminopyridineHeterocycles257443
E054-(4-Nitrobenzyl)pyridineHeterocycles265NA
E061.3,5-TriazineHeterocycles270NA
E07PhthalimideHeterocycles215NA
E082,2'-BipyridineHeterocycles281NA
E094,4'-BipyridineHeterocycles238NA
E10QuinolineHeterocycles204302
E118-Quinoline carboxylic acidHeterocycles219301
E123-Quinoline carboxaldehydeHeterocycles245NA
E13BenzothiazoleHeterocycles217NA
E14BenzotriazoleHeterocycles253NA
E152-MethylbenzoxazoleHeterocycles231.75NA
E16PyrroleHeterocycles206NA
E17Pyrrole-2-carboxaldehydeHeterocycles278NA
E18Thiazole OrangeHeterocycles502NA
E19Thioflavin THeterocycles413484
E20Tris(2,2'-bipyridyl)ruthenium(II)Heterocycles286NA
E214-Chloro-7-nitrobenzofurazanHeterocycles336NA
E227-Benzylamino-4-nitrobenz-2-oxa-1,3-diazoleHeterocycles460.5NA
E23Carbostyril 124Heterocycles219NA
E24Quinoline YellowHeterocycles413NA
E252,3,5-Triphenyltetrazolium ChlorideHeterocycles247NA
E26Quinine sulfateHeterocycles349NA
F01L-AlanineBiomolecules262NA
F02L-PhenylalanineBiomolecules257.5NA
F03L-TyrosineBiomolecules274.25NA
F04L-HistidineBiomolecules211NA
F05L-TryptophanBiomolecules278NA
F06AdenineBiomolecules261NA
F07GuanineBiomolecules243NA
F08CytosineBiomolecules266.75NA
F09ThymineBiomolecules263.75NA
F10UracilBiomolecules258.25NA
F112-Amino-4-methylpyrimidineBiomolecules228NA
F122,4-dihydroxy-6-methylpyrimidineBiomolecules259NA
F13D-(-)-SalicinBiomolecules212NA
F14RiboflavinBiomolecules263NA
F15L-Ascorbic acidBiomolecules265NA
F16DL-alpha-TocopherolBiomolecules206326
F17Vitamin K1Biomolecules248NA
F18Folic acidBiomolecules281452
G011,4-BenzoquinoneQuinones239.75NA
G02HydroquinoneQuinones225324
G032,3,5,6-Tetrachloro-1,4-benzoquinoneQuinones288NA
G04TetrachlorohydroquinoneQuinones211NA
G052,3,5,6-Tetramethyl-1,4-benzoquinoneQuinones270NA
G062,3-Dichloro-5,6-dicyano-1,4-benzoquinoneQuinones287NA
G073,4,5,6-Tetrachloro-1,2-benzoquinoneQuinones458NA
G082,5-Diphenyl-1,4-benzoquinoneQuinones243NA
G092,5-Di-tert-butyl-1,4-benzoquinoneQuinones258NA
G10TetracyanoethyleneQuinones267NA
G117,7,8,8-TetracyanoquinodimethaneQuinones401NA
G121,4-NaphthoquinoneQuinones246NA
G131,4-Naphthoquinone-2-sulfonic acid, Potassium saltQuinones255NA
G142,3-Dichloro-1,4-naphthoquinoneQuinones280NA
G152-Methyl-1,4-naphthoquinoneQuinones251NA
G169,10-PhenanthrenequinoneQuinones268NA
G171,2-NaphthoquinoneQuinones249NA
G181,2-Naphthoquinone-4-sulfonic acid, sodium saltQuinones250NA
G199,10-AnthraquinoneQuinones251.25NA
G20AlizarinQuinones248NA
G21Alizarin Red SQuinones250NA
G221,4-AnthraquinoneQuinones233NA
G235,12-NaphthacenequinoneQuinones296344
G246,13-PentacenequinoneQuinones303333
H01CoumarinCoumarins275NA
H024-HydroxycoumarinCoumarins280364
H037-HydroxycoumarinCoumarins326387
H047-Hydroxy-4-(trifluoromethyl)coumarinCoumarins338420
H057-Methoxycoumarin-4-acetic acidCoumarins323.75NA
H06Coumarin 1Coumarins373.25NA
H07Coumarin 6Coumarins459.25NA
H08Coumarin 7Coumarins436484
H09Coumarin 30Coumarins407.5NA
H10Coumarin 151Coumarins384484
H11Coumarin 314Coumarins436NA
H12Coumarin 343Coumarins444.75NA
H13Calcein BlueCoumarins361441
H14Urolithin BCoumarins278425
I01AcridineAcridines247415
I02Proflavine hydrochlorideAcridines261NA
I03Acridine OrangeAcridines270.5NA
I04Acridine Yellow GAcridines264NA
I05AcridoneAcridines249410
I06PhenazineAcridines248NA
I07PhenosafraninAcridines533562
I08Neutral RedAcridines278592
I09Janus Green BAcridines587NA
I10PhenothiazineAcridines253445
I11ThioninAcridines605616
I12Methylene blueAcridines656677
I13Azure IIAcridines654672
I14Toluidine Blue OAcridines628658
I15PhenoxathiinAcridines237NA
I16PhenoxazineAcridines239389
I17Oxazine 1Acridines642.5NA
I18Cresyl Violet perchlorateAcridines603NA
I19Nile RedAcridines519.4NA
I20Nile BlueAcridines627.5NA
I21Oxazine 170Acridines613.25NA
J01AzobenzeneAzo Dyes 319NA
J02Acid Red 2Azo Dyes 430NA
J03Methyl OrangeAzo Dyes 466NA
J04Orange GAzo Dyes 478NA
J05Orange IIAzo Dyes 486NA
J06Acid Red 88Azo Dyes 503NA
J07Sudan IAzo Dyes 481NA
J08Sudan IIAzo Dyes498NA
J09Acid Violet 3Azo Dyes 555NA
J10Acid Red 1Azo Dyes 530NA
J11Acid Red 14Azo Dyes 512412
J12Acid Blue 92Azo Dyes 563NA
J13Sudan IIIAzo Dyes 504NA
J14Sudan IVAzo Dyes 518NA
J15Acid Black 1Azo Dyes 619NA
J16Ponceau SAzo Dyes 513NA
J17Congo RedAzo Dyes 483NA
J18Benzopurpurin 4BAzo Dyes 497NA
J19Evans BlueAzo Dyes 606NA
K011,1'-Diethyl-2,2'-cyanine iodideCyanine Dyes524.25NA
K021,1'-Diethyl-2,2'-carbocyanine iodide Cyanine Dyes603.5NA
K031,1'-Diethyl-2,2'-dicarbocyanine iodideCyanine Dyes711735
K041,1'-Diethyl-4,4'-cyanine iodideCyanine Dyes592NA
K051,1'-Diethyl-4,4'-carbocyanine iodideCyanine Dyes709.5NA
K061,1'-Diethyl-4,4'-dicarbocyanine iodideCyanine Dyes818834
K073,3'-Diethyloxacarbocyanine iodideCyanine Dyes485NA
K083,3'-Diethyloxadicarbocyanine iodideCyanine Dyes582NA
K093,3'-Diethyloxatricarbocyanine iodideCyanine Dyes687.5NA
K101,1'-Diethyl-3,3,3',3'-tetramethylindocarbocyanine IodideCyanine Dyes544.25NA
K111,1'-Diethyl-3,3,3',3'-tetramethylindodicarbocyanine IodideCyanine Dyes637.5NA
K121,1'-Diethyl-3,3,3',3'-tetramethylindotricarbocyanine IodideCyanine Dyes742.25NA
K13Indocyanine GreenCyanine Dyes789817
K143,3'-Diethylthiacarbocyanine iodideCyanine Dyes559.25NA
K153,3'-Diethylthiadicarbocyanine iodide Cyanine Dyes655.75NA
K163,3'-Diethylthiatricarbocyanine iodideCyanine Dyes763.25NA
K17Merocyanine 540Cyanine Dyes559.5NA
K184-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran, [DCM]Cyanine Dyes468NA
K19Stains allCyanine Dyes575.5NA
L01Auramine OArylmethane Dyes431.25NA
L02Malachite GreenArylmethane Dyes616.5NA
L03Crystal VioletArylmethane Dyes590.5NA
L04p-FuchsinArylmethane Dyes543577
L05Methyl VioletArylmethane Dyes585NA
L06Methyl GreenArylmethane Dyes632NA
L07Methyl BlueArylmethane Dyes590NA
L08PhenolphthaleinArylmethane Dyes554NA
L09Phenol RedArylmethane Dyes558NA
L10Cresol RedArylmethane Dyes573NA
L11Thymol BlueArylmethane Dyes597NA
M01PerylenePerylenes435.75NA
M02Perylene, PMIPerylenes507NA
M03Perylene, PMI(OR)Perylenes507NA
M04Perylene, PMI(OR)3Perylenes536NA
M05Perylene, PDIPerylenes528NA
N01FluoresceinXanthenes500.25NA
N022',7'-DichlorofluoresceinXanthenes502522
N033,4,5,6-TetrachlorofluoresceinXanthenes509527
N04Eosin BXanthenes527549
N05Eosin YXanthenes524.75NA
N06Phloxine BXanthenes550564
N07Erythrosine BXanthenes535558
N08Rose bengalXanthenes559NA
N09XantphosXanthenes261333
N10Rhodamine 123Xanthenes511.75NA
N11Rhodamine BXanthenes542.75NA
N12Sulforhodamine BXanthenes553571
N13Rhodamine 6GXanthenes529.75NA
N14Rhodamine 101 inner saltXanthenes565587
N15Sulforhodamine 101Xanthenes576NA
O01DansylglycineMiscellaneous Dyes338.5NA
O02Lucifer Yellow CHMiscellaneous Dyes279.75NA
O03PiroxicamMiscellaneous Dyes325NA
O041,2,3,4,5-PentamethylcyclopentadieneMiscellaneous Dyes249NA
O05Ethidium BromideMiscellaneous Dyes285631
O064',6-Diamidino-2-phenylindole, [DAPI]Miscellaneous Dyes344NA
O07Hoechst 33258Miscellaneous Dyes345.5NA
O08Squarylium dye IIIMiscellaneous Dyes627.25NA
O09Ellagic Acid DihydrateMiscellaneous Dyes276NA
O10Betalamic AcidMiscellaneous Dyes424NA
O11BetaninMiscellaneous Dyes535NA
O12Rutin trihydrateMiscellaneous Dyes205NA
O13HesperidinMiscellaneous Dyes203NA
P015-PhenyldipyrromethaneDipyrrins208NA
P025-PhenyldipyrrinDipyrrins432NA
P03N,N'-Difluoroboryl-1,9-dimethyl-5-phenydipyrrinDipyrrins502.75NA
P04N,N'-Difluoroboryl-1,9-dimethyl-5-(4-iodophenyl)dipyrrinDipyrrins515.5NA
P05N,N'-Difluoroboryl-1,9-dimethyl-5-[(4-(2-trimethylsilylethynyl)pheny]dipyrrinDipyrrins515.75NA
P06Bis(5-phenyldipyrrinato)zincDipyrrins485NA
P07Bis(5-mesityldipyrrinato)zincDipyrrins487NA
Q01H2PPorphyrins396.25NA
Q02MgPPorphyrins402629
Q03ZnPPorphyrins399615
Q04H2OEPPorphyrins400NA
Q05MgOEPPorphyrins409.75NA
Q06CuOEPPorphyrins400NA
Q07ZnOEPPorphyrins404.25NA
Q08H2TPPPorphyrins419.25NA
Q09MgTPPPorphyrins426NA
Q10ZnTPPPorphyrins422.75NA
Q11H2TMPPorphyrins419NA
Q12MgTMPPorphyrins426.5NA
Q13ZnTMPPorphyrins421.5NA
Q14H2TTPPorphyrins420654
Q15(o-H2NPh)H2PPorphyrins420.75NA
Q16(ODC)H2PPorphyrins419NA
Q17C6F5-H2PPorphyrins417643
Q18N-Confused tetraphenylporphyrinPorphyrins440NA
Q19H4TPP2+Porphyrins444.5NA
Q20ZnTMP.+Porphyrins412NA
Q21Protoporphyrin IX dimethyl esterPorphyrins408NA
Q22HematinPorphyrins385.9NA
Q23TetrabenzoporphinePorphyrins429663
Q24H2TBP(CO2Bu)Porphyrins447NA
Q25ZnTBP(CO2Bu)Porphyrins452NA
Q26PdTBP(CO2Bu)Porphyrins426NA
Q27H2TBP(CO2Me)PhPorphyrins469NA
Q28ZnTBP(CO2Me)PhPorphyrins471NA
Q29PdTBP(CO2Me)PhPorphyrins443NA
Q30ZnTCPH(CO2Me)PhPorphyrins453NA
Q31PdTCPH(CO2Me)PhPorphyrins428NA
Q32H2TBP(CO2Bu)PhPorphyrins483NA
Q33ZnTBP(CO2Bu)PhPorphyrins487NA
Q34PdTBP(CO2Bu)PhPorphyrins460NA
R01Ph-CorroleOligopyrroles416NA
R02C6F5-CorroleOligopyrroles408NA
R03SapphyrinOligopyrroles491NA
R04BilirubinOligopyrroles450.75NA
R05Biliverdin dimethyl esterOligopyrroles377NA
R06CyanocobalaminOligopyrroles361NA
S01H2PcPhthalocyanines698.5NA
S02MgPcPhthalocyanines674NA
S03FePcPhthalocyanines662NA
S04ZnPcPhthalocyanines674NA
S05H2Pc(OBu)Phthalocyanines763780
S06H2Pc(tBu)Phthalocyanines699703
S07ZnPc(tBu)Phthalocyanines677682
S08H2Nc(OnBu)Phthalocyanines865NA
S09H2Nc(tBu)Phthalocyanines784.37NA
S10H2N4P(tBu)Phthalocyanines624.38NA
S11Boron subphthalocyanine chloridePhthalocyanines569NA
T01Chlorophyll aChlorins/Bacteriochlorins429NA
T02Chlorophyll bChlorins/Bacteriochlorins453NA
T03Pheophorbide aChlorins/Bacteriochlorins410NA
T04Pyropheophorbide aChlorins/Bacteriochlorins413NA
T05Pyropheophorbide a methyl esterChlorins/Bacteriochlorins414NA
T06Chlorin e6Chlorins/Bacteriochlorins401NA
T07Purpurin 18Chlorins/Bacteriochlorins413708
T08H2TPCChlorins/Bacteriochlorins421654
T09H2C-1Chlorins/Bacteriochlorins414NA
T10CuC-1Chlorins/Bacteriochlorins409NA
T11ZnC-1Chlorins/Bacteriochlorins411NA
T12H2COxo-1Chlorins/Bacteriochlorins415NA
T13MgCOxo-1Chlorins/Bacteriochlorins425NA
T14CuCOxo-1Chlorins/Bacteriochlorins420NA
T15ZnCOxo-1Chlorins/Bacteriochlorins423NA
T16Bacteriochlorophyll aChlorins/Bacteriochlorins780.2NA
[1]