Chem
J-GLOBAL ID：201007015598072998   Nikkaji number：J2.791.828J

5-[Bis(4-hexylphenyl)amino]-10,20-bis(3,5-di-tert-butylphenyl)-15-(4-carboxyphenylethynyl)-21H,23H-porphyrin

4-[20-[ビス(4-ヘキシルフェニル)アミノ]-5,15-ビス(3,5-ジ-tert-ブチルフェニル)-21H,23H-ポルフィリン-10-イルエチニル]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： C81H91N5O2
Molecular formula furigana： C81-H91-N5-O2
Molecular weight： 1166.652
InChI： InChI=1S/C81H91N5O2/c1-15-17-19-21-23-53-27-34-63(35-28-53)86(64-36-29-54(30-37-64)24-22-20-18-16-2)76-72-45-43-70(84-72)74(57-47-59(78(3,4)5)51-60(48-57)79(6,7)8)68-41-39-66(82-68)65(38-31-55-25-32-56(33-26-55)77(87)88)67-40-42-69(83-67)75(71-44-46-73(76)85-71)58-49-61(80(9,10)11)52-62(50-58)81(12,13)14/h25-30,32-37,39-52,82,85H,15-24H2,1-14H3,(H,87,88)/b66-65-,67-65-,74-68-,74-70-,75-69-,75-71-,76-72+,76-73+
InChI key： NOYYLPQOOGWCOI-IWBWYNBISA-N
SMILES： CCCCCCc1ccc(cc1)N(c1ccc(CCCCCC)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)/C#Cc1ccc(cc1)C(=O)O)/C=C3)\c1cc(cc(c1)C(C)(C)C)C(C)(C)C)/[nH]2
Systematic name  (5)：
  • 5-[ビス(4-ヘキシルフェニル)アミノ]-10,20-ビス(3,5-ジ-tert-ブチルフェニル)-15-(4-カルボキシフェニルエチニル)-21H,23H-ポルフィリン
  • 4-[5,15-ビス(3,5-ジ-tert-ブチルフェニル)-20-[ビス(4-ヘキシルフェニル)アミノ]-21H,23H-ポルフィリン-10-イルエチニル]安息香酸
  • 4-[20-[ビス(4-ヘキシルフェニル)アミノ]-5,15-ビス(3,5-ジ-tert-ブチルフェニル)-21H,23H-ポルフィリン-10-イルエチニル]安息香酸
  • 5,15-ビス(3,5-ジ-tert-ブチルフェニル)-20-[ビス(4-ヘキシルフェニル)アミノ]-10-(4-カルボキシフェニルエチニル)-21H,23H-ポルフィリン
  • 4-[[5,15-ビス(3,5-ジ-tert-ブチルフェニル)-20-[ビス(4-ヘキシルフェニル)アミノ]-21H,23H-ポルフィリン-10-イル]エチニル]安息香酸
Other name (5)：
  • 5-[Bis(4-hexylphenyl)amino]-10,20-bis(3,5-di-tert-butylphenyl)-15-(4-carboxyphenylethynyl)-21H,23H-porphyrin
  • 4-[5,15-Bis(3,5-di-tert-butylphenyl)-20-[bis(4-hexylphenyl)amino]-21H,23H-porphyrin-10-ylethynyl]benzoic acid
  • 4-[20-[Bis(4-hexylphenyl)amino]-5,15-bis(3,5-di-tert-butylphenyl)-21H,23H-porphyrin-10-ylethynyl]benzoic acid
  • 5,15-Bis(3,5-di-tert-butylphenyl)-20-[bis(4-hexylphenyl)amino]-10-(4-carboxyphenylethynyl)-21H,23H-porphyrin
  • 4-[[5,15-Bis(3,5-di-tert-butylphenyl)-20-[bis(4-hexylphenyl)amino]-21H,23H-porphyrin-10-yl]ethynyl]benzoic acid
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