Chem
J-GLOBAL ID：200907052418984708   Nikkaji number：J1.746.651H

5-[4-(Ethoxycarbonyl)phenyl]-10,20-diheptyl-15-(1-methyl-2-imidazolyl)-21H,23H-porphyrin

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]安息香酸エチル
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： C47H54N6O2
Molecular formula furigana： C47-H54-N6-O2
Molecular weight： 734.989
InChI： InChI=1S/C47H54N6O2/c1-5-8-10-12-14-16-34-36-22-26-40(49-36)44(32-18-20-33(21-19-32)47(54)55-7-3)41-27-23-37(50-41)35(17-15-13-11-9-6-2)39-25-29-43(52-39)45(42-28-24-38(34)51-42)46-48-30-31-53(46)4/h18-31,49,52H,5-17H2,1-4H3/b36-34-,37-35-,38-34-,39-35-,44-40-,44-41-,45-42+,45-43+
InChI key： LYRNTURTEXHEMT-JJYWRJCVSA-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)OCC)/[nH]2
Systematic name  (4)：
  • 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]安息香酸エチル
  • 5-[4-(エトキシカルボニル)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
  • エチル 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]ベンゾアート
  • ethyl 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]benzoate
Other name (2)：
  • 4-[5,15-Diheptyl-10-(1-methyl-1H-imidazole-2-yl)-21H,23H-porphyrin-20-yl]benzoic acid ethyl ester
  • 5-[4-(Ethoxycarbonyl)phenyl]-10,20-diheptyl-15-(1-methyl-2-imidazolyl)-21H,23H-porphyrin
Thsaurus map：
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