Chem
J-GLOBAL ID:200907049290528240   Nikkaji number:J2.454.313G

2,2′,2′′,2′′′-(21H,23H-Porphyrin-5,10,15,20-tetrayl)tetrakis[1-(α-methylbenzylcarbamoylmethyl)pyridinium]

2,2′,2′′,2′′′-(21H,23H-ポルフィリン-5,10,15,20-テトライル)テトラキス[1-(α-メチルベンジルカルバモイルメチル)ピリジニウム]
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: C80H74N8[N+]4O4
Molecular formula furigana: C80-H74-N12-O4
Molecular weight: 1267.550
InChI: InChI=1S/C80H70N12O4/c1-53(57-25-9-5-10-26-57)81-73(93)49-89-45-21-17-33-69(89)77-61-37-39-63(85-61)78(70-34-18-22-46-90(70)50-74(94)82-54(2)58-27-11-6-12-28-58)65-41-43-67(87-65)80(72-36-20-24-48-92(72)52-76(96)84-56(4)60-31-15-8-16-32-60)68-44-42-66(88-68)79(64-40-38-62(77)86-64)71-35-19-23-47-91(71)51-75(95)83-55(3)59-29-13-7-14-30-59/h5-48,53-56H,49-52H2,1-4H3,(H2-3,81,82,83,84,85,86,87,88,93,94,95,96)/p+4/b77-61+,77-62+,78-63+,78-65+,79-64+,79-66+,80-67+,80-68+
InChI key: JEQRWFGQZABHRY-MUWFNOMMSA-R
SMILES: CC(NC(=O)C[n+]1ccccc1/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1cccc[n+]1CC(=O)NC(C)c1ccccc1)[nH]4)/c1cccc[n+]1CC(=O)NC(C)c1ccccc1)/C=C3)\c1cccc[n+]1CC(=O)NC(C)c1ccccc1)/[nH]2)c1ccccc1
Systematic name  (3):
  • 2,2′,2′′,2′′′-(21H,23H-ポルフィリン-5,10,15,20-テトライル)テトラキス[1-(α-メチルベンジルカルバモイルメチル)ピリジニウム]
  • 1-{[(1-フェニルエチル)カルバモイル]メチル}-2-[7,12,17-トリス(1-{[(1-フェニルエチル)カルバモイル]メチル}ピリジン-1-イウム-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]ピリジン-1-イウム
  • 1-{[(1-phenylethyl)carbamoyl]methyl}-2-[7,12,17-tris(1-{[(1-phenylethyl)carbamoyl]methyl}pyridin-1-ium-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]pyridin-1-ium
Other name (1):
  • 2,2′,2′′,2′′′-(21H,23H-Porphyrin-5,10,15,20-tetrayl)tetrakis[1-(α-methylbenzylcarbamoylmethyl)pyridinium]
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