Chem
J-GLOBAL ID:200907091261665056   Nikkaji number:J2.663.951D

4,7-Bis(6-octyl-5-ethynylthieno[3,2-b]thiophene-2-yl)-2,1,3-benzothiadiazole

4,7-ビス(6-オクチル-5-エチニルチエノ[3,2-b]チオフェン-2-イル)-2,1,3-ベンゾチアジアゾール
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: C38H40N2S5
Molecular formula furigana: C38-H40-N2-S5
Molecular weight: 685.050
InChI: InChI=1S/C38H40N2S5/c1-5-9-11-13-15-17-19-27-29(7-3)41-33-23-31(43-37(27)33)25-21-22-26(36-35(25)39-45-40-36)32-24-34-38(44-32)28(30(8-4)42-34)20-18-16-14-12-10-6-2/h3-4,21-24H,5-6,9-20H2,1-2H3
InChI key: QENBRNQWUFBFMJ-UHFFFAOYSA-N
SMILES: CCCCCCCCc1c(sc2cc(sc12)c1ccc(c2cc3sc(C#C)c(CCCCCCCC)c3s2)c2nsnc12)C#C
Systematic name  (3):
  • 4,7-ビス(6-オクチル-5-エチニルチエノ[3,2-b]チオフェン-2-イル)-2,1,3-ベンゾチアジアゾール
  • 4,7-ビス({5-エチニル-6-オクチルチエノ[3,2-b]チオフェン-2-イル})-2,1,3-ベンゾチアジアゾール
  • 4,7-bis({5-ethynyl-6-octylthieno[3,2-b]thiophen-2-yl})-2,1,3-benzothiadiazole
Other name (1):
  • 4,7-Bis(6-octyl-5-ethynylthieno[3,2-b]thiophene-2-yl)-2,1,3-benzothiadiazole
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