Chem
J-GLOBAL ID：200907017861518035   Nikkaji number：J1.956.498C

5-(4-Carboxyphenyl)-10,15,20-trimesityl-21H,23H-porphyrin

4-(10,15,20-トリメシチル-21H,23H-ポルフィリン-5-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： C54H48N4O2
Molecular formula furigana： C54-H48-N4-O2
Molecular weight： 785.004
InChI： InChI=1S/C54H48N4O2/c1-28-22-31(4)47(32(5)23-28)51-41-16-14-39(55-41)50(37-10-12-38(13-11-37)54(59)60)40-15-17-42(56-40)52(48-33(6)24-29(2)25-34(48)7)44-19-21-46(58-44)53(45-20-18-43(51)57-45)49-35(8)26-30(3)27-36(49)9/h10-27,55,58H,1-9H3,(H,59,60)/b50-39-,50-40-,51-41+,51-43+,52-42+,52-44+,53-45+,53-46+
InChI key： DMBYOZGHRPSSQJ-HUJDMFCFSA-N
SMILES： Cc1cc(C)c(c(C)c1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccc(cc1)C(=O)O)[nH]4)/c1c(C)cc(C)cc1C)/C=C3)\c1c(C)cc(C)cc1C)/[nH]2
Systematic name  (7)：
  • 5,10,15-トリス(2,4,6-トリメチルフェニル)-20-(4-カルボキシフェニル)-21H,23H-ポルフィリン
  • 4-(10,15,20-トリメシチル-21H,23H-ポルフィリン-5-イル)安息香酸
  • 4-(5,10,15-トリメシチル-21H,23H-ポルフィリン-20-イル)安息香酸
  • 10,15,20-トリス(2,4,6-トリメチルフェニル)-5-(4-カルボキシフェニル)-21H,23H-ポルフィリン
  • 4-[10,15,20-トリス(2,4,6-トリメチルフェニル)-21H,23H-ポルフィリン-5-イル]安息香酸
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Other name (7)：
  • 5-(4-Carboxyphenyl)-10,15,20-trimesityl-21H,23H-porphyrin
  • 4-(5,10,15-Trimesityl-21H,23H-porphyrin-20-yl)benzoic acid
  • 4-[10,15,20-Tris(2,4,6-trimethylphenyl)-21H,23H-porphyrin-5-yl]benzoic acid
  • 5,10,15-Tris(2,4,6-trimethylphenyl)-20-(4-carboxyphenyl)-21H,23H-porphyrin
  • 20-(4-Carboxyphenyl)-5,10,15-tris(2,4,6-trimethylphenyl)-21H,23H-porphyrin
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