5-(4-octylphenyl)-5H-diindeno[1,2-b:2',1'-d]pyrrole-10,11-dione | 1225556-06-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 5-(4-octylphenyl)-5H-diindeno[1,2-b:2',1'-d]pyrrole-10,11-dione
• 英文别名: 11-(4-Octylphenyl)-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene-3,19-dione
• CAS: 1225556-06-8
• 化学式: C₃₂H₂₉NO₂
• 分子量: 459.588
• InChiKey: XHSSHHQCDFCLNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  39.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  在 aluminum (III) chloride 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 12.0h， 以30 mg的产率得到5-(4-octylphenyl)-5H-diindeno[1,2-b:2',1'-d]pyrrole-10,11-dione
  参考文献：
  名称：

  Pyrrole-cored push–pull single chromophore

  摘要：

  We report a straightforward synthesis toward pyrrole-cored push-pull single chromophore in which the electron-donating (D) units are pyrrole groups and electron-withdrawing (A) moieties are diketone groups. Optical and electrochemical properties of the novel pyrrole-based building block embedding carbonyl functionalities were studied in detail. On the redox behaviors, this resulting material not only possesses low-lying LUMO but also displays high-lying HOMO with fully reversible p-and n-doping, which can establish it as a good candidate for use as electron/hole-transporting material in optical and electro-optical applications. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.02.029