Chem
J-GLOBAL ID：200907088487395174   Nikkaji number：J2.168.947E

5-[4-(Diphenylamino)phenylethynyl]-15-(2,4-dinitrophenylethynyl)-10,20-diphenyl-21H,23H-porphyrin

5-[4-(ジフェニルアミノ)フェニルエチニル]-15-(2,4-ジニトロフェニルエチニル)-10,20-ジフェニル-21H,23H-ポルフィリン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C60H37N5[N+]2O2[O-]2
Molecular formula furigana： C60-H37-N7-O4
Molecular weight： 920.001
InChI： InChI=1S/C60H37N7O4/c68-66(69)47-28-24-41(58(39-47)67(70)71)25-30-49-52-33-37-56(63-52)59(42-13-5-1-6-14-42)54-35-31-50(61-54)48(51-32-36-55(62-51)60(43-15-7-2-8-16-43)57-38-34-53(49)64-57)29-23-40-21-26-46(27-22-40)65(44-17-9-3-10-18-44)45-19-11-4-12-20-45/h1-22,24,26-28,31-39,61,64H/b50-48-,51-48-,52-49-,53-49-,59-54-,59-56-,60-55-,60-57-
InChI key： IVTMRDDPCCFPCS-CTHKCCHTSA-N
SMILES： [O-][N+](=O)c1ccc(C#C/C/2=c/3\cc/c(=C(/C4=N/C(=C(\c5ccc(/C(=C\6/C=CC2=N6)/c2ccccc2)[nH]5)/C#Cc2ccc(cc2)N(c2ccccc2)c2ccccc2)/C=C4)\c2ccccc2)/[nH]3)c(c1)[N+](=O)[O-]
Systematic name  (1)：
  • 5-[4-(ジフェニルアミノ)フェニルエチニル]-15-(2,4-ジニトロフェニルエチニル)-10,20-ジフェニル-21H,23H-ポルフィリン
Other name (1)：
  • 5-[4-(Diphenylamino)phenylethynyl]-15-(2,4-dinitrophenylethynyl)-10,20-diphenyl-21H,23H-porphyrin
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