Chem
J-GLOBAL ID：200907058929410805   Nikkaji number：J2.145.485K

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

5,15-ビス[4-(エトキシカルボニル)フェニル]-10-ヘプチル-20-(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： C49H48N6O4
Molecular formula furigana： C49-H48-N6-O4
Molecular weight： 784.961
InChI： InChI=1S/C49H48N6O4/c1-5-8-9-10-11-12-35-36-21-23-38(51-36)44(31-13-17-33(18-14-31)48(56)58-6-2)40-25-27-42(53-40)46(47-50-29-30-55(47)4)43-28-26-41(54-43)45(39-24-22-37(35)52-39)32-15-19-34(20-16-32)49(57)59-7-3/h13-30,51,54H,5-12H2,1-4H3/b36-35-,37-35-,44-38-,44-40-,45-39-,45-41-,46-42+,46-43+
InChI key： ANNPPXCLEXCVOE-BVWMYSHLSA-N
SMILES： CCCCCCC/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccc(cc1)C(=O)OCC)[nH]4)/c1nccn1C)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2
Systematic name  (3)：
  • 5,15-ビス[4-(エトキシカルボニル)フェニル]-10-ヘプチル-20-(1-メチル-2-イミダゾリル)-21H,23H-ポルフィリン
  • エチル 4-{12-[4-(エトキシカルボニル)フェニル]-17-ヘプチル-7-(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}ベンゾアート
  • ethyl 4-{12-[4-(ethoxycarbonyl)phenyl]-17-heptyl-7-(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}benzoate
Other name (1)：
  • 5,15-Bis[4-(ethoxycarbonyl)phenyl]-10-heptyl-20-(1-methyl-2-imidazolyl)-21H,23H-porphyrin
Thsaurus map：
Thesaurus Map

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