Chem
J-GLOBAL ID：200907095832517322   Nikkaji number：J1.714.648C

1,4-Bis[7-(3-hexyl-2-thienylethynyl)-2,1,3-benzothiadiazole-4-yl]-1,3-butadiyne

1,4-ビス[7-(3-ヘキシル-2-チエニルエチニル)-2,1,3-ベンゾチアジアゾール-4-イル]-1,3-ブタジイン
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： C40H34N4S4
Molecular formula furigana： C40-H34-N4-S4
Molecular weight： 698.980
InChI： InChI=1S/C40H34N4S4/c1-3-5-7-9-13-29-25-27-45-35(29)23-21-33-19-17-31(37-39(33)43-47-41-37)15-11-12-16-32-18-20-34(40-38(32)42-48-44-40)22-24-36-30(26-28-46-36)14-10-8-6-4-2/h17-20,25-28H,3-10,13-14H2,1-2H3
InChI key： YPJHWTDCRGVPMT-UHFFFAOYSA-N
SMILES： CCCCCCc1ccsc1C#Cc1ccc(C#CC#Cc2ccc(C#Cc3sccc3CCCCCC)c3nsnc23)c2nsnc12
Systematic name  (5)：
  • 1,4-ビス[7-(3-ヘキシル-2-チエニルエチニル)-2,1,3-ベンゾチアジアゾール-4-イル]-1,3-ブタジイン
  • 4,4′-(1,3-ブタンジイン-1,4-ジイル)ビス[7-[(3-ヘキシルチオフェン-2-イル)エチニル]-2,1,3-ベンゾチアジアゾール]
  • 4,4′-(1,3-ブタジイン-1,4-ジイル)ビス[7-[(3-ヘキシル-2-チエニル)エチニル]-2,1,3-ベンゾチアジアゾール]
  • 4-[2-(3-ヘキシルチオフェン-2-イル)エチニル]-7-(4-{7-[2-(3-ヘキシルチオフェン-2-イル)エチニル]-2,1,3-ベンゾチアジアゾール-4-イル}ブタ-1,3-ジイン-1-イル)-2,1,3-ベンゾチアジアゾール
  • 4-[2-(3-hexylthiophen-2-yl)ethynyl]-7-(4-{7-[2-(3-hexylthiophen-2-yl)ethynyl]-2,1,3-benzothiadiazol-4-yl}buta-1,3-diyn-1-yl)-2,1,3-benzothiadiazole
Other name (3)：
  • 1,4-Bis[7-(3-hexyl-2-thienylethynyl)-2,1,3-benzothiadiazole-4-yl]-1,3-butadiyne
  • 4,4′-(1,3-Butanediyne-1,4-diyl)bis[7-[(3-hexylthiophene-2-yl)ethynyl]-2,1,3-benzothiadiazole]
  • 4,4′-(1,3-Butadiyne-1,4-diyl)bis[7-[(3-hexyl-2-thienyl)ethynyl]-2,1,3-benzothiadiazole]
Thsaurus map：
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