Chem
J-GLOBAL ID：200907068858589650   Nikkaji number：J1.714.650E

2,5-Bis[7-(3-hexyl-2-thienylethynyl)-2,1,3-benzothiadiazole-4-ylethynyl]thiophene

2,5-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-イルエチニル]チオフェン
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： C44H36N4S5
Molecular formula furigana： C44-H36-N4-S5
Molecular weight： 781.100
InChI： InChI=1S/C44H36N4S5/c1-3-5-7-9-11-31-27-29-49-39(31)25-19-35-15-13-33(41-43(35)47-52-45-41)17-21-37-23-24-38(51-37)22-18-34-14-16-36(44-42(34)46-53-48-44)20-26-40-32(28-30-50-40)12-10-8-6-4-2/h13-16,23-24,27-30H,3-12H2,1-2H3
InChI key： PNJHCACMMPOXQN-UHFFFAOYSA-N
SMILES： CCCCCCc1ccsc1C#Cc1ccc(C#Cc2ccc(s2)C#Cc2ccc(C#Cc3sccc3CCCCCC)c3nsnc23)c2nsnc12
Systematic name  (4)：
  • 2,5-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-イルエチニル]チオフェン
  • 4,4′-[チオフェン-2,5-ジイルビス(エチン-1,2-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-[2-(3-ヘキシルチオフェン-2-イル)エチニル]-7-{2-[5-(2-{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}エチニル)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-[2-(3-hexylthiophen-2-yl)ethynyl]-7-{2-[5-(2-{7-[2-(3-hexylthiophen-2-yl)ethynyl]-2,1,3-benzothiadiazol-4-yl}ethynyl)thiophen-2-yl]ethynyl}-2,1,3-benzothiadiazole
Other name (2)：
  • 2,5-Bis[7-(3-hexyl-2-thienylethynyl)-2,1,3-benzothiadiazole-4-ylethynyl]thiophene
  • 4,4′-[Thiophene-2,5-diylbis(ethyne-1,2-diyl)]bis[7-[(3-hexylthiophene-2-yl)ethynyl]-2,1,3-benzothiadiazole]
Thsaurus map：
Thesaurus Map

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