Chem
J-GLOBAL ID:200907072657171353   Nikkaji number:J1.853.122D

N-[5,15-Bis(3,5-di-tert-butylphenyl)-21H,23H-porphyrin-10-yl]-N′-octylbenzene-1,2:4,5-bis(dicarbimide)

N-[5,15-ビス(3,5-ジ-tert-ブチルフェニル)-21H,23H-ポルフィリン-10-イル]-N′-オクチルベンゼン-1,2:4,5-ビス(ジカルボイミド)
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: C66H72N6O4
Molecular formula furigana: C66-H72-N6-O4
Molecular weight: 1013.340
InChI: InChI=1S/C66H72N6O4/c1-14-15-16-17-18-19-28-71-59(73)46-36-48-49(37-47(46)60(71)74)62(76)72(61(48)75)58-54-26-24-52(69-54)56(38-29-40(63(2,3)4)33-41(30-38)64(5,6)7)50-22-20-44(67-50)35-45-21-23-51(68-45)57(53-25-27-55(58)70-53)39-31-42(65(8,9)10)34-43(32-39)66(11,12)13/h20-27,29-37,67,70H,14-19,28H2,1-13H3/b44-35-,45-35-,56-50-,56-52-,57-51-,57-53-,58-54+,58-55+
InChI key: CVYBYBZVXVZGCN-WWGVQZHGSA-N
SMILES: CCCCCCCCn1c(=O)c2cc3c(cc2c1=O)c(=O)n(/C/1=c/2\cc/c(=C(/C4=N/C(=C\c5ccc(/C(=C\6/C=CC1=N6)/c1cc(cc(c1)C(C)(C)C)C(C)(C)C)[nH]5)/C=C4)\c1cc(cc(c1)C(C)(C)C)C(C)(C)C)/[nH]2)c3=O
Systematic name  (4):
  • N-[5,15-ビス(3,5-ジ-tert-ブチルフェニル)-21H,23H-ポルフィリン-10-イル]-N′-オクチルベンゼン-1,2:4,5-ビス(ジカルボイミド)
  • 2-[5,15-ビス(3,5-ジ-tert-ブチルフェニル)-21H,23H-ポルフィリン-10-イル]-6-オクチルベンゾ[1,2-c:4,5-c′]ジピロール-1,3,5,7(2H,6H)-テトラオン
  • 2-[7,17-ビス(3,5-ジ-tert-ブチルフェニル)-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]-6-オクチル-1H,2H,3H,5H,6H,7H-ピロロ[3,4-f]イソインドール-1,3,5,7-テトラオン
  • 2-[7,17-bis(3,5-di-tert-butylphenyl)-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]-6-octyl-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
Other name (2):
  • N-[5,15-Bis(3,5-di-tert-butylphenyl)-21H,23H-porphyrin-10-yl]-N′-octylbenzene-1,2:4,5-bis(dicarbimide)
  • 2-[5,15-Bis(3,5-di-tert-butylphenyl)-21H,23H-porphyrin-10-yl]-6-octylbenzo[1,2-c:4,5-c′]dipyrrole-1,3,5,7(2H,6H)-tetrone
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