Chem
J-GLOBAL ID：200907041064796508   Nikkaji number：J2.145.488E

5,15-Bis[4-(ethoxycarbonyl)phenyl]-10,20-diheptyl-21H,23H-porphyrin

5,15-ビス[4-(エトキシカルボニル)フェニル]-10,20-ジヘプチル-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： C52H58N4O4
Molecular formula furigana： C52-H58-N4-O4
Molecular weight： 803.060
InChI： InChI=1S/C52H58N4O4/c1-5-9-11-13-15-17-39-41-27-31-45(53-41)49(35-19-23-37(24-20-35)51(57)59-7-3)47-33-29-43(55-47)40(18-16-14-12-10-6-2)44-30-34-48(56-44)50(46-32-28-42(39)54-46)36-21-25-38(26-22-36)52(58)60-8-4/h19-34,53,56H,5-18H2,1-4H3/b41-39-,42-39-,43-40-,44-40-,49-45-,49-47-,50-46-,50-48-
InChI key： LDUONYZAACKQCE-VHTARLCESA-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)/CCCCCCC)/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]-10,20-ジヘプチル-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]-7,17-ジヘプチル-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]-7,17-diheptyl-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]-10,20-diheptyl-21H,23H-porphyrin
Thsaurus map：
Thesaurus Map

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