Chem
J-GLOBAL ID：200907074215443616   Nikkaji number：J1.149.384J

1,3,5-Tris[(4-cyanopyridinio)methyl]-2,4,6-trimethylbenzene

1,3,5-トリス[(4-シアノピリジニオ)メチル]-2,4,6-トリメチルベンゼン
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： C30H27N3[N+]3
Molecular formula furigana： C30-H27-N6
Molecular weight： 471.586
InChI： InChI=1S/C30H27N6/c1-22-28(19-34-10-4-25(16-31)5-11-34)23(2)30(21-36-14-8-27(18-33)9-15-36)24(3)29(22)20-35-12-6-26(17-32)7-13-35/h4-15H,19-21H2,1-3H3/q+3
InChI key： SYNRUVROKQWIEV-UHFFFAOYSA-N
SMILES： Cc1c(C[n+]2ccc(cc2)C#N)c(C)c(C[n+]2ccc(cc2)C#N)c(C)c1C[n+]1ccc(cc1)C#N
Systematic name  (8)：
  • 1,1′,1′′-(2,4,6-トリメチル-1,3,5-ベンゼントリイルトリスメチレン)トリス(4-シアノピリジニウム)
  • 1,1′,1′′-(2,4,6-トリメチルベンゼン-1,3,5-トリイルトリスメチレン)トリス(4-シアノピリジニウム)
  • 1,3,5-トリス[(4-シアノピリジニオ)メチル]-2,4,6-トリメチルベンゼン
  • 1,1′,1′′-[(2,4,6-トリメチルベンゼン-1,3,5-トリイル)トリス(メチレン)]トリス(4-シアノピリジニウム)
  • 1,1′,1′′-[(2,4,6-トリメチルベンゼン-1,3,5-トリイル)トリスメチレン]トリス(4-シアノピリジニウム)
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Other name (6)：
  • 1,1′,1′′-(2,4,6-Trimethyl-1,3,5-benzenetriyltrismethylene)tris(4-cyanopyridinium)
  • 1,1′,1′′-(2,4,6-Trimethylbenzene-1,3,5-triyltrismethylene)tris(4-cyanopyridinium)
  • 1,3,5-Tris[(4-cyanopyridinio)methyl]-2,4,6-trimethylbenzene
  • 1,1′,1′′-[(2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene)]tris(4-cyanopyridinium)
  • 1,1′,1′′-[(2,4,6-Trimethylbenzene-1,3,5-triyl)trismethylene]tris(4-cyanopyridinium)
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