Chem
J-GLOBAL ID：200907076801328829   Nikkaji number：J780.016I

5-(4-Carboxyphenyl)-10,15,20-tris(p-tolyl)-21H,23H-porphyrin

4-[5,10,15-トリス(p-トリル)-21H,23H-ポルフィリン-20-イル]安息香酸
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： C48H36N4O2
Molecular formula furigana： C48-H36-N4-O2
Molecular weight： 700.842
InChI： InChI=1S/C48H36N4O2/c1-28-4-10-31(11-5-28)44-36-20-22-38(49-36)45(32-12-6-29(2)7-13-32)40-24-26-42(51-40)47(34-16-18-35(19-17-34)48(53)54)43-27-25-41(52-43)46(39-23-21-37(44)50-39)33-14-8-30(3)9-15-33/h4-27,49,52H,1-3H3,(H,53,54)/b44-36-,44-37-,45-38-,45-40-,46-39-,46-41-,47-42-,47-43-
InChI key： PUIJVDKPSPRJQX-ZQANTMHOSA-N
SMILES： Cc1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccc(C)cc1)[nH]4)/c1ccc(cc1)C(=O)O)/C=C3)\c1ccc(C)cc1)/[nH]2
Systematic name  (7)：
  • 5-(4-カルボキシフェニル)-10,15,20-トリス(4-メチルフェニル)-21H,23H-ポルフィリン
  • 4-[5,10,15-トリス(p-トリル)-21H,23H-ポルフィリン-20-イル]安息香酸
  • 4-[5,10,15-トリス(4-メチルフェニル)-21H,23H-ポルフィリン-20-イル]安息香酸
  • 4-[10,15,20-トリス(4-メチルフェニル)-21H,23H-ポルフィリン-5-イル]安息香酸
  • 5-(4-カルボキシフェニル)-10,15,20-トリス(p-トリル)-21H,23H-ポルフィリン
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Other name (7)：
  • 5-(4-Carboxyphenyl)-10,15,20-tris(4-methylphenyl)-21H,23H-porphyrin
  • 4-[5,10,15-Tris(p-tolyl)-21H,23H-porphyrin-20-yl]benzoic acid
  • 4-[5,10,15-Tris(4-methylphenyl)-21H,23H-porphyrin-20-yl]benzoic acid
  • 4-[10,15,20-Tris(4-methylphenyl)-21H,23H-porphyrin-5-yl]benzoic acid
  • 5-(4-Carboxyphenyl)-10,15,20-tris(p-tolyl)-21H,23H-porphyrin
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