| 1342301-15-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• CAS: 1342301-15-8
• 化学式: C₁₁₆H₁₆₀O₄S₃
• 分子量: 1714.74
• InChiKey: UGIGDGCJGPUWBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  37.09
• 重原子数：
  123.0
• 可旋转键数：
  64.0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  36.92
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  在 硫酸 作用下， 以 溶剂黄146 为溶剂， 反应 18.0h， 以81%的产率得到
  参考文献：
  名称：

  Ladder-Type Nonacyclic Structure Consisting of Alternate Thiophene and Benzene Units for Efficient Conventional and Inverted Organic Photovoltaics

  摘要：

  A ladder-type nonacyclic thienyl-phenylene-thienylene-phenylene-thienyl TPTPT unit, consisting of alternate interfused thiophene and benzene units, is designed and synthesized. This multifused distannyl-TPTPT monomer was polymerized with two electron-deficient acceptors, 4,7-dibromo-2,1,3-benzothiadiazole BT and 5,8-dibromo-2,3-diphenylquinoxaline QX monomers, by Stile coupling reaction to afford two alternating donor acceptor copolymers, PTPTPTBT and PTPTPTQX, respectively. Because of the covalent planarization of the conjugated framework, PTPTPTBT simultaneously possess excellent solubilities for solution-processability, low bandgaps with suitable position of HOMO/LUMO energy levels, and high hole mobilities. The devices based on the PTPTPTBT/PC71BM blend not only showed a promising PCE of 5.3% with conventional configuration but also achieved a high PCE of 5.9% with inverted configuration. This value is among the highest performance from the inverted solar cells incorporating a donor acceptor low bandgap polymer.

  DOI：

  10.1021/cm202612t