1-(3'-butyl-5'-(7-[3-butyl-5'-(2,2,2-trifluoroacetyl)-[2,2']bithiophen-5-yl]-benzo[c][1,2,5]-thiadiazol-4-yl)-[2,2']bithien-5-yl)-2,2,2-trifluoro-ethan-1-one | 1260153-55-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 双噻吩和低聚噻吩
• 英文名称: 1-(3'-butyl-5'-(7-[3-butyl-5'-(2,2,2-trifluoroacetyl)-[2,2']bithiophen-5-yl]-benzo[c][1,2,5]-thiadiazol-4-yl)-[2,2']bithien-5-yl)-2,2,2-trifluoro-ethan-1-one
• 英文别名: 1-[5-[3-Butyl-5-[4-[4-butyl-5-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]-2,2,2-trifluoroethanone；1-[5-[3-butyl-5-[4-[4-butyl-5-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]-2,2,2-trifluoroethanone
• CAS: 1260153-55-6
• 化学式: C₃₄H₂₆F₆N₂O₂S₅
• 分子量: 768.913
• InChiKey: WMANBDGRPWRTOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.4
• 重原子数：
  49
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  174
• 氢给体数：
  0
• 氢受体数：
  15

反应信息

• 作为产物：
  描述：

  4,7-二溴-2,1,3-苯并噻二唑 在 bis-triphenylphosphine-palladium(II) chloride 、 N-溴代丁二酰亚胺(NBS) 、 cesium fluoride 作用下， 以 氯仿 、 1,2-二氯乙烷 为溶剂， 反应 14.5h， 生成 1-(3'-butyl-5'-(7-[3-butyl-5'-(2,2,2-trifluoroacetyl)-[2,2']bithiophen-5-yl]-benzo[c][1,2,5]-thiadiazol-4-yl)-[2,2']bithien-5-yl)-2,2,2-trifluoro-ethan-1-one
  参考文献：
  名称：

  A-D-A-D-A-Type Oligothiophenes for Vacuum-Deposited Organic Solar Cells

  摘要：

  Novel A-D-A-D-A-type oligothiophenes incorporating electron-withdrawing benzo[c][1,2,5]thiadiazole (BTDA) as core and trifluoroacetyl (TFA) as terminal acceptor groups have been developed. Vacuum-processed planar heterojunction organic solar cells incorporating these new oligomers as donor and C-60 as acceptor showed very high open circuit voltages up to 1.17 V, resulting in power conversion efficiencies of 1.56% under AM1.5G conditions.

  DOI：

  10.1021/ol102603n

文献信息

• A-D-A-D-A-Type Oligothiophenes for Vacuum-Deposited Organic Solar Cells
  作者：Simon Steinberger、Amaresh Mishra、Egon Reinold、Christian M. Müller、Christian Uhrich、Martin Pfeiffer、Peter Bäuerle

  DOI：10.1021/ol102603n

  日期：2011.1.7

  Novel A-D-A-D-A-type oligothiophenes incorporating electron-withdrawing benzo[c][1,2,5]thiadiazole (BTDA) as core and trifluoroacetyl (TFA) as terminal acceptor groups have been developed. Vacuum-processed planar heterojunction organic solar cells incorporating these new oligomers as donor and C-60 as acceptor showed very high open circuit voltages up to 1.17 V, resulting in power conversion efficiencies of 1.56% under AM1.5G conditions.