Chem
J-GLOBAL ID:200907049983342832   Nikkaji number:J645.166G

1-[4-[4-[5,10,15-Tris(p-tolyl)-21H,23H-porphyrin-20-yl]-pyridinio]butyl]-1′-[4-(1′-benzyl-4,4′-bipyridinium-1-yl)butyl]-4,4′-bipyridinium

1-[4-[4-[5,10,15-トリス(p-トリル)-21H,23H-ポルフィリン-20-イル]-ピリジニオ]ブチル]-1′-[4-(1′-ベンジル-4,4′-ビピリジニウム-1-イル)ブチル]-4,4′-ビピリジニウム
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: C81H74N4[N+]5
Molecular formula furigana: C81-H74-N9
Molecular weight: 1173.543
InChI: InChI=1S/C81H72N9/c1-58-13-19-66(20-14-58)78-70-25-27-72(82-70)79(67-21-15-59(2)16-22-67)74-29-31-76(84-74)81(77-32-30-75(85-77)80(73-28-26-71(78)83-73)68-23-17-60(3)18-24-68)69-41-53-89(54-42-69)46-10-9-45-87-49-35-63(36-50-87)62-33-47-86(48-34-62)43-7-8-44-88-51-37-64(38-52-88)65-39-55-90(56-40-65)57-61-11-5-4-6-12-61/h4-6,11-42,47-56H,7-10,43-46,57H2,1-3H3/q+3/p+2/b78-70-,78-71-,79-72-,79-74-,80-73-,80-75-,81-76-,81-77-
InChI key: PXIIJUCPMZRSGO-XJXKJZIPSA-P
SMILES: Cc1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccc(C)cc1)[nH]4)/c1cc[n+](CCCC[n+]4ccc(cc4)c4cc[n+](CCCC[n+]5ccc(cc5)c5cc[n+](Cc6ccccc6)cc5)cc4)cc1)/C=C3)\c1ccc(C)cc1)/[nH]2
Systematic name  (4):
  • 1-[4-[4-[5,10,15-トリス(p-トリル)-21H,23H-ポルフィリン-20-イル]-ピリジニオ]ブチル]-1′-[4-(1′-ベンジル-4,4′-ビピリジニウム-1-イル)ブチル]-4,4′-ビピリジニウム
  • 1-[4-[1′-[4-(1′-ベンジル-4,4′-ビピリジニウム-1-イル)ブチル]-4,4′-ビピリジニウム-1-イル]ブチル]-4-[10,15,20-トリス(4-メチルフェニル)-21H,23H-ポルフィリン-5-イル]ピリジニウム
  • 1-(4-{1'-ベンジル-[4,4'-ビピリジン]-1,1'-ジイウム-1-イル}ブチル)-1'-(4-{4-[7,12,17-トリス(4-メチルフェニル)-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-1,3,5,7,9,11(23),12,14,16,18(21),19-ウンデカエン-2-イル]ピリジン-1-イウム-1-イル}ブチル)-[4,4'-ビピリジン]-1,1'-ジイウム
  • 1-(4-{1'-benzyl-[4,4'-bipyridine]-1,1'-diium-1-yl}butyl)-1'-(4-{4-[7,12,17-tris(4-methylphenyl)-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]pyridin-1-ium-1-yl}butyl)-[4,4'-bipyridine]-1,1'-diium
Other name (2):
  • 1-[4-[4-[5,10,15-Tris(p-tolyl)-21H,23H-porphyrin-20-yl]-pyridinio]butyl]-1′-[4-(1′-benzyl-4,4′-bipyridinium-1-yl)butyl]-4,4′-bipyridinium
  • 1-[4-[1′-[4-(1′-Benzyl-4,4′-bipyridinium-1-yl)butyl]-4,4′-bipyridinium-1-yl]butyl]-4-[10,15,20-tris(4-methylphenyl)-21H,23H-porphyrin-5-yl]pyridinium
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