Chem
J-GLOBAL ID：200907016012234000   Nikkaji number：J1.826.592C

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

3,3′-[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/c1-3-9-27(10-4-1)23-37-21-7-13-29(25-37)15-17-31-19-20-32(34-33(31)35-39-36-34)18-16-30-14-8-22-38(26-30)24-28-11-5-2-6-12-28/h1-14,19-22,25-26H,23-24H2/q+2
InChI key： NZHGLSNETHRRNB-UHFFFAOYSA-N
SMILES： C(c1ccccc1)[n+]1cccc(c1)C#Cc1ccc(C#Cc2ccc[n+](Cc3ccccc3)c2)c2nsnc12
Systematic name  (3)：
  • 3,3′-[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-3-(2-{7-[2-(1-ベンジルピリジン-1-イウム-3-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-3-(2-{7-[2-(1-benzylpyridin-1-ium-3-yl)ethynyl]-2,1,3-benzothiadiazol-4-yl}ethynyl)pyridin-1-ium
Other name (1)：
  • 3,3′-[2,1,3-Benzothiadiazole-4,7-diylbis(ethyne-2,1-diyl)]bis(1-benzylpyridinium)
Thsaurus map：
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