5-(heptadecan-9-yl)-1,3-di(thiophen-2-yl)-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione

• 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: 5-(heptadecan-9-yl)-1,3-di(thiophen-2-yl)-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione
• 英文别名: 5-Heptadecan-9-yl-1,3-dithiophen-2-ylthieno[3,4-c]pyrrole-4,6-dione
• 化学式: C₃₁H₄₁NO₂S₃
• 分子量: 555.87
• InChiKey: UMBKERJAFYEKMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.3
• 重原子数：
  37
• 可旋转键数：
  17
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  122
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-(heptadecan-9-yl)-1,3-di(thiophen-2-yl)-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 氯仿 、 溶剂黄146 为溶剂， 以63%的产率得到1,3-bis(5-bromothiophen-2-yl)-5-(heptadecan-9-yl)-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione
  参考文献：
  名称：

  [EN] ORGANIC ELECTRONIC DEVICES AND POLYMERS, INCLUDING PHOTOVOLTAIC CELLS AND DIKETONE-BASED POLYMERS
  [FR] POLYMÈRES ET DISPOSITIFS ORGANIQUES ÉLECTRIQUES, COMPRENANT DES CELLULES PHOTOVOLTAÏQUES ET DES POLYMÈRES À BASE DE DICÉTONE

  摘要：

  公开号：

  WO2011028827A3
• 作为产物：
  描述：

  1,3-dibromo-5-(1-octylnonyl)thieno[3,4-c]-pyrrole-4,6-dione 、 2-(trimethylstannyl)thiophene 在 tris-(dibenzylideneacetone)dipalladium(0) 三(邻甲基苯基)磷 作用下， 以 甲苯 为溶剂， 反应 12.0h， 以56%的产率得到5-(heptadecan-9-yl)-1,3-di(thiophen-2-yl)-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione
  参考文献：
  名称：

  [EN] ORGANIC ELECTRONIC DEVICES AND POLYMERS, INCLUDING PHOTOVOLTAIC CELLS AND DIKETONE-BASED POLYMERS
  [FR] POLYMÈRES ET DISPOSITIFS ORGANIQUES ÉLECTRIQUES, COMPRENANT DES CELLULES PHOTOVOLTAÏQUES ET DES POLYMÈRES À BASE DE DICÉTONE

  摘要：

  公开号：

  WO2011028827A3

文献信息

• ORGANIC ELECTRONIC DEVICES AND POLYMERS, INCLUDING PHOTOVOLTAIC CELLS AND DIKETONE-BASED POLYMERS
  申请人：Brown Christopher T.

  公开号：US20110204341A1

  公开（公告）日：2011-08-25

  Polymers which can be used in p-type materials for organic electronic devices and photovoltaic cells. Compounds, monomers, dimers, trimers, and polymers comprising: Good photovoltaic efficiency and lifetime can be achieved. The R group can provide solubility, environmental stability, and fine tuning of spectroscopic and/or electronic properties. Different polymer microstructures can be prepared which encourage multiple band gaps and broad and strong absorptions. The carbonyl can interact with adjacent thiophene rings to provide backbone with rigidity, induce planarity, and reduce and/or eliminate intramolecular chain twisting defects. Polymers comprising benzodithiophene and/or benzothiadiazole structures can show particularly high performance.

  可以用于有机电子器件和光伏电池的p型材料的高分子。化合物，单体，二聚体，三聚体和聚合物包括：可以实现良好的光伏效率和寿命。R基团可以提供可溶性，环境稳定性和光谱和/或电子性质的微调。可以制备不同的高分子微结构，以鼓励多重带隙和广泛而强烈的吸收。羰基可以与相邻的噻吩环相互作用，提供具有刚性的骨架，诱导平面性，并减少和/或消除分子内链扭曲缺陷。包含苯并噻吩和/或苯并噻二唑结构的高分子可以显示出特别高的性能。
• ORGANIC ELECTRONIC DEVICES AND POLYMERS, INCLUDING PHOTOVOLTAIC CELLS AND DIKETONE-BASED AND DIKETOPYRROLOPYRROLE-BASED POLYMERS
  申请人：Brown Christopher T.

  公开号：US20110114184A1

  公开（公告）日：2011-05-19

  Polymers which can be used in p-type materials for organic electronic devices and photovoltaic cells. Compounds, monomers, dimers, trimers, and polymers comprising: wherein A1 and A2 each independently comprise a fused ring system comprising at least two fused rings directly covalently linked to the pyrrole rings. Good photovoltaic efficiency and lifetime can be achieved. The R group can provide solubility, environmental stability, and fine tuning of spectroscopic and/or electronic properties. Different polymer microstructures can be prepared which encourage multiple band gaps and broad and strong absorptions. The carbonyl can interact with adjacent thiophene rings to provide backbone with rigidity, induce planarity, and reduce and/or eliminate intramolecular chain twisting defects.

  可用于有机电子器件和光伏电池的p型材料的聚合物。 包括化合物、单体、二聚体、三聚体和聚合物，其中A1和A2各自独立地包括至少两个融合环系统，直接共价键连接到吡咯环。 可以实现良好的光伏效率和寿命。 R基团可以提供可溶性、环境稳定性和光谱和/或电子性质的微调。 可以制备不同的聚合物微结构，鼓励多重带隙和宽波段和强吸收。 羰基可以与相邻的噻吩环相互作用，提供具有刚性的主链，诱导平面性，并减少和/或消除分子内链扭曲缺陷。
• US8691931B2
  申请人：——

  公开号：US8691931B2

  公开（公告）日：2014-04-08
• US8968885B2
  申请人：——

  公开号：US8968885B2

  公开（公告）日：2015-03-03
• [EN] ORGANIC ELECTRONIC DEVICES AND POLYMERS, INCLUDING PHOTOVOLTAIC CELLS AND DIKETONE-BASED AND DIKETOPYRROLOPYRROLE-BASED POLYMERS<br/>[FR] DISPOSITIFS ÉLECTRONIQUES ORGANIQUES ET POLYMÈRES, COMPRENANT DES CELLULES PHOTOVOLTAÏQUES ET DES POLYMÈRES À BASE DE DICÉTONE ET À BASE DE DICÉTOPYRROLOPYRROLE
  申请人：PLEXTRONICS INC

  公开号：WO2011028829A2

  公开（公告）日：2011-03-10

  Polymers which can be used in p-type materials for organic electronic devices and photovoltaic cells. Compounds, monomers, dimers, trimers, and polymers comprising formula (I) and/or formula (VIII); wherein A1 and A2 each independently comprise a fused ring system comprising at least two fused rings directly covalently linked to the pyrrole rings. Good photovoltaic efficiency and lifetime can be achieved. The R group can provide solubility, environmental stability, and fine tuning of spectroscopic and/or electronic properties. Different polymer microstructures can be prepared which encourage multiple band gaps and broad and strong absorptions. The carbonyl can interact with adjacent thiophene rings to provide backbone with rigidity, induce planarity, and reduce and/or eliminate intramolecular chain twisting defects.