Chem
J-GLOBAL ID：200907090767450914   Nikkaji number：J2.145.486I

5-[2-[1,3,5,7-Tetraoxo-6-(6-oxo-6-methoxyhexyl)-2,6-dihydrobenzo[1,2-c:4,5-c′]dipyrrole-2-yl]ethyl]-10-heptyl-15,20-bis(1-methyl-2-imidazolyl)-21H,23H-porphyrin

5-[2-[1,3,5,7-テトラオキソ-6-(6-オキソ-6-メトキシヘキシル)-2,6-ジヒドロベンゾ[1,2-c:4,5-c′]ジピロール-2-イル]エチル]-10-ヘプチル-15,20-ビス(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： C54H54N10O6
Molecular formula furigana： C54-H54-N10-O6
Molecular weight： 939.090
InChI： InChI=1S/C54H54N10O6/c1-5-6-7-8-10-13-32-38-15-16-40(57-38)33(23-27-64-53(68)36-30-34-35(31-37(36)54(64)69)52(67)63(51(34)66)26-12-9-11-14-46(65)70-4)41-18-20-43(59-41)48(50-56-25-29-62(50)3)45-22-21-44(60-45)47(42-19-17-39(32)58-42)49-55-24-28-61(49)2/h15-22,24-25,28-31,58-59H,5-14,23,26-27H2,1-4H3/b38-32-,39-32-,40-33-,41-33-,47-42+,47-44+,48-43+,48-45+
InChI key： FYQOHKVGPQROGT-LDKRFXDUSA-N
SMILES： CCCCCCC/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/CCn1c(=O)c5cc6c(cc5c1=O)c(=O)n(CCCCCC(=O)OC)c6=O)[nH]4)/c1nccn1C)/C=C3)\c1nccn1C)/[nH]2
Systematic name  (3)：
  • 5-[2-[1,3,5,7-テトラオキソ-6-(6-オキソ-6-メトキシヘキシル)-2,6-ジヒドロベンゾ[1,2-c:4,5-c′]ジピロール-2-イル]エチル]-10-ヘプチル-15,20-ビス(1-メチル-2-イミダゾリル)-21H,23H-ポルフィリン
  • メチル 6-(6-{2-[17-ヘプチル-7,12-ビス(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-1,3,5,7,9,11(23),12,14,16,18(21),19-ウンデカエン-2-イル]エチル}-1,3,5,7-テトラオキソ-1H,2H,3H,5H,6H,7H-ピロロ[3,4-f]イソインドール-2-イル)ヘキサノアート
  • methyl 6-(6-{2-[17-heptyl-7,12-bis(1-methyl-1H-imidazol-2-yl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-2-yl]ethyl}-1,3,5,7-tetraoxo-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindol-2-yl)hexanoate
Other name (1)：
  • 5-[2-[1,3,5,7-Tetraoxo-6-(6-oxo-6-methoxyhexyl)-2,6-dihydrobenzo[1,2-c:4,5-c′]dipyrrole-2-yl]ethyl]-10-heptyl-15,20-bis(1-methyl-2-imidazolyl)-21H,23H-porphyrin
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