2-(4-nitro-phenyl)-3-(9H-cabazol-3-yl)acrylonitrile | 1563014-04-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 2-(4-nitro-phenyl)-3-(9H-cabazol-3-yl)acrylonitrile
• CAS: 1563014-04-9
• 化学式: C₂₄H₁₉N₃O₂
• 分子量: 381.434
• InChiKey: MPNZDKDBPAWRQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.18
• 重原子数：
  29.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  71.86
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  咔唑 在 哌啶 、 sodium hydroxide 、 三氯氧磷 作用下， 以 氯仿 、 二甲基亚砜 、 1,2-二氯乙烷 为溶剂， 反应 16.5h， 生成 2-(4-nitro-phenyl)-3-(9H-cabazol-3-yl)acrylonitrile
  参考文献：
  名称：

  Synthesis, optical and electrochemical properties of carbazole sensitizers and their interaction with TiO2

  摘要：

  Two carbazole derivatives (CN, CR) were synthesized and characterized by H-1, C-13 NMR, Mass, IR and cyclic voltammetry measurements. The absorption of CR appears at higher wavelength than CN. Effect of solvents on the absorption and emission properties of the sensitizers was analyzed. Interaction of these sensitizers with TiO2 was studied by using absorption and fluorescence measurements. Ground state complex formation was observed from steady state measurements. Binding constant (K) was calculated from fluorescence quenching measurements. The possibility of electron transfer from the excited state sensitizers to the conduction band of TiO2 was analyzed using energy levels and Rehm-Weller equation. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2013.12.017