Chem
J-GLOBAL ID：201707007294831395   Nikkaji number：J3.635.137C

1,3,5-Tris(1′-octyl-4,4′-bipyridinium-1-ylmethyl)benzene

1,3,5-トリス(1′-オクチル-4,4′-ビピリジニウム-1-イルメチル)ベンゼン
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： C63H84[N+]6
Molecular formula furigana： C63-H84-N6
Molecular weight： 925.404
InChI： InChI=1S/C63H84N6/c1-4-7-10-13-16-19-34-64-37-22-58(23-38-64)61-28-43-67(44-29-61)52-55-49-56(53-68-45-30-62(31-46-68)59-24-39-65(40-25-59)35-20-17-14-11-8-5-2)51-57(50-55)54-69-47-32-63(33-48-69)60-26-41-66(42-27-60)36-21-18-15-12-9-6-3/h22-33,37-51H,4-21,34-36,52-54H2,1-3H3/q+6
InChI key： JEWMXLGTMCHRKA-UHFFFAOYSA-N
SMILES： CCCCCCCC[n+]1ccc(cc1)c1cc[n+](Cc2cc(C[n+]3ccc(cc3)c3cc[n+](CCCCCCCC)cc3)cc(C[n+]3ccc(cc3)c3cc[n+](CCCCCCCC)cc3)c2)cc1
Systematic name  (4)：
  • 1,3,5-トリス(1′-オクチル-4,4′-ビピリジニウム-1-イルメチル)ベンゼン
  • 1,1′′,1′′′′-(1,3,5-ベンゼントリイル)トリス(メチレン)トリス(1′-オクチル-4,4′-ビピリジン-1,1′-ジイウム)
  • 1-{[3,5-ビス({1'-オクチル-[4,4'-ビピリジン]-1,1'-ジイウム-1-イル}メチル)フェニル]メチル}-1'-オクチル-[4,4'-ビピリジン]-1,1'-ジイウム
  • 1-{[3,5-bis({1'-octyl-[4,4'-bipyridine]-1,1'-diium-1-yl}methyl)phenyl]methyl}-1'-octyl-[4,4'-bipyridine]-1,1'-diium
Other name (2)：
  • 1,3,5-Tris(1′-octyl-4,4′-bipyridinium-1-ylmethyl)benzene
  • 1,1′′,1′′′′-(1,3,5-Benzenetriyl)tris(methylene)tris(1′-octyl-4,4′-bipyridine-1,1′-diium)
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