Chem
J-GLOBAL ID：200907059761285127   Nikkaji number：J1.746.653D

5-(4-Carboxyphenyl)-10,20-diheptyl-15-(1-methyl-2-imidazolyl)-21H,23H-porphyrin

5-(4-カルボキシフェニル)-10,20-ジヘプチル-15-(1-メチル-2-イミダゾリル)-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： C45H50N6O2
Molecular formula furigana： C45-H50-N6-O2
Molecular weight： 706.935
InChI： InChI=1S/C45H50N6O2/c1-4-6-8-10-12-14-32-34-20-24-38(47-34)42(30-16-18-31(19-17-30)45(52)53)39-25-21-35(48-39)33(15-13-11-9-7-5-2)37-23-27-41(50-37)43(40-26-22-36(32)49-40)44-46-28-29-51(44)3/h16-29,47,50H,4-15H2,1-3H3,(H,52,53)/b34-32-,35-33-,36-32-,37-33-,42-38-,42-39-,43-40+,43-41+
InChI key： BZVMJXUSHGBNGT-MJTKGHSISA-N
SMILES： CCCCCCC/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1nccn1C)[nH]4)/CCCCCCC)/C=C3)\c1ccc(cc1)C(=O)O)/[nH]2
Systematic name  (5)：
  • 4-[5,15-ジヘプチル-10-(1-メチル-1H-イミダゾール-2-イル)-21H,23H-ポルフィリン-20-イル]安息香酸
  • 5,15-ジヘプチル-10-(1-メチル-1H-イミダゾール-2-イル)-20-(4-カルボキシフェニル)-21H,23H-ポルフィリン
  • 5-(4-カルボキシフェニル)-10,20-ジヘプチル-15-(1-メチル-2-イミダゾリル)-21H,23H-ポルフィリン
  • 4-[7,17-ジヘプチル-12-(1-メチル-1H-イミダゾール-2-イル)-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1,3(24),4,6,8,10,12,14,16(22),17,19-ウンデカエン-2-イル]安息香酸
  • 4-[7,17-diheptyl-12-(1-methyl-1H-imidazol-2-yl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]benzoic acid
Other name (3)：
  • 4-[5,15-Diheptyl-10-(1-methyl-1H-imidazole-2-yl)-21H,23H-porphyrin-20-yl]benzoic acid
  • 5,15-Diheptyl-10-(1-methyl-1H-imidazol-2-yl)-20-(4-carboxyphenyl)-21H,23H-porphyrin
  • 5-(4-Carboxyphenyl)-10,20-diheptyl-15-(1-methyl-2-imidazolyl)-21H,23H-porphyrin
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