Chem
J-GLOBAL ID：200907054050255703   Nikkaji number：J1.826.588E

4,4′-[2,1,3-Benzothiadiazole-4,7-diylbis(ethyne-2,1-diyl)]bis(1-benzylpyridinium)

4,4′-[2,1,3-ベンゾチアジアゾール-4,7-ジイルビス(エチン-2,1-ジイル)]ビス(1-ベンジルピリジニウム)
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： C34H24N2[N+]2S
Molecular formula furigana： C34-H24-N4-S
Molecular weight： 520.650
InChI： InChI=1S/C34H24N4S/c1-3-7-29(8-4-1)25-37-21-17-27(18-22-37)11-13-31-15-16-32(34-33(31)35-39-36-34)14-12-28-19-23-38(24-20-28)26-30-9-5-2-6-10-30/h1-10,15-24H,25-26H2/q+2
InChI key： SMMLETOXRDNGBI-UHFFFAOYSA-N
SMILES： C(c1ccccc1)[n+]1ccc(cc1)C#Cc1ccc(C#Cc2cc[n+](Cc3ccccc3)cc2)c2nsnc12
Systematic name  (3)：
  • 4,4′-[2,1,3-ベンゾチアジアゾール-4,7-ジイルビス(エチン-2,1-ジイル)]ビス(1-ベンジルピリジニウム)
  • 1-ベンジル-4-(2-{7-[2-(1-ベンジルピリジン-1-イウム-4-イル)エチニル]-2,1,3-ベンゾチアジアゾール-4-イル}エチニル)ピリジン-1-イウム
  • 1-benzyl-4-(2-{7-[2-(1-benzylpyridin-1-ium-4-yl)ethynyl]-2,1,3-benzothiadiazol-4-yl}ethynyl)pyridin-1-ium
Other name (1)：
  • 4,4′-[2,1,3-Benzothiadiazole-4,7-diylbis(ethyne-2,1-diyl)]bis(1-benzylpyridinium)
Thsaurus map：
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