Chem
J-GLOBAL ID：200907012013918994   Nikkaji number：J1.941.415I

1,1′,1′′-(2,4,6-Triethyl-1,3,5-benzenetriyltrismethylene)tris[3-(ethylamino)pyridinium]

1,1′,1′′-(2,4,6-トリエチル-1,3,5-ベンゼントリイルトリスメチレン)トリス[3-(エチルアミノ)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： C36H51N3[N+]3
Molecular formula furigana： C36-H51-N6
Molecular weight： 567.844
InChI： InChI=1S/C36H51N6/c1-7-31-34(25-40-19-13-16-28(22-40)37-10-4)32(8-2)36(27-42-21-15-18-30(24-42)39-12-6)33(9-3)35(31)26-41-20-14-17-29(23-41)38-11-5/h13-24,37-39H,7-12,25-27H2,1-6H3/q+3
InChI key： OQFCEPOVXMXLKB-UHFFFAOYSA-N
SMILES： CCNc1ccc[n+](Cc2c(CC)c(C[n+]3cccc(NCC)c3)c(CC)c(C[n+]3cccc(NCC)c3)c2CC)c1
Systematic name  (3)：
  • 1,1′,1′′-(2,4,6-トリエチル-1,3,5-ベンゼントリイルトリスメチレン)トリス[3-(エチルアミノ)ピリジニウム]
  • 3-(エチルアミノ)-1-{[2,4,6-トリエチル-3,5-ビス({[3-(エチルアミノ)ピリジン-1-イウム-1-イル]メチル})フェニル]メチル}ピリジン-1-イウム
  • 3-(ethylamino)-1-{[2,4,6-triethyl-3,5-bis({[3-(ethylamino)pyridin-1-ium-1-yl]methyl})phenyl]methyl}pyridin-1-ium
Other name (1)：
  • 1,1′,1′′-(2,4,6-Triethyl-1,3,5-benzenetriyltrismethylene)tris[3-(ethylamino)pyridinium]
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