Chem
J-GLOBAL ID：200907080355003381   Nikkaji number：J2.163.322D

5-[4-(Methoxycarbonyl)phenyl]-10,15,20-tris(3,5-ditert-butylphenyl)-21H,23H-porphyrin

4-[10,15,20-トリス(3,5-ジ-tert-ブチルフェニル)-21H,23H-ポルフィリン-5-イル]安息香酸メチル
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： C70H80N4O2
Molecular formula furigana： C70-H80-N4-O2
Molecular weight： 1009.436
InChI： InChI=1S/C70H80N4O2/c1-65(2,3)46-32-43(33-47(38-46)66(4,5)6)61-54-26-24-52(71-54)60(41-20-22-42(23-21-41)64(75)76-19)53-25-27-55(72-53)62(44-34-48(67(7,8)9)39-49(35-44)68(10,11)12)57-29-31-59(74-57)63(58-30-28-56(61)73-58)45-36-50(69(13,14)15)40-51(37-45)70(16,17)18/h20-40,71,74H,1-19H3/b60-52-,60-53-,61-54-,61-56-,62-55-,62-57-,63-58-,63-59-
InChI key： QGIWOFRQAUMSBP-SWPMMZLJSA-N
SMILES： COC(=O)c1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1cc(cc(c1)C(C)(C)C)C(C)(C)C)[nH]4)/c1cc(cc(c1)C(C)(C)C)C(C)(C)C)/C=C3)\c1cc(cc(c1)C(C)(C)C)C(C)(C)C)/[nH]2
Systematic name  (3)：
  • 4-[10,15,20-トリス(3,5-ジ-tert-ブチルフェニル)-21H,23H-ポルフィリン-5-イル]安息香酸メチル
  • 5-[4-(メトキシカルボニル)フェニル]-10,15,20-トリス(3,5-ジtert-ブチルフェニル)-21H,23H-ポルフィリン
  • 4-[5,10,15-トリス(3,5-ジ-tert-ブチルフェニル)-21H,23H-ポルフィリン-20-イル]安息香酸メチル
Other name (3)：
  • 4-[10,15,20-Tris(3,5-di-tert-butylphenyl)-21H,23H-porphyrin-5-yl]benzoic acid methyl ester
  • 5-[4-(Methoxycarbonyl)phenyl]-10,15,20-tris(3,5-ditert-butylphenyl)-21H,23H-porphyrin
  • 4-[5,10,15-Tris(3,5-di-tert-butylphenyl)-21H,23H-porphyrin-20-yl]benzoic acid methyl ester
Thsaurus map：
Thesaurus Map

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