N,N'-bis(4,4-diethoxybutyl)perylene-3,4,9,10-tetracarboxylic diimide | 1446681-44-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: N,N'-bis(4,4-diethoxybutyl)perylene-3,4,9,10-tetracarboxylic diimide
• CAS: 1446681-44-2
• 化学式: C₄₀H₄₂N₂O₈
• 分子量: 678.782
• InChiKey: CGMYJPBOBGAPHT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.29
• 重原子数：
  50.0
• 可旋转键数：
  16.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  111.68
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  4-氨基丁醛缩二乙醇 、 苝-3,4,9,10-四羧酸 在 咪唑 作用下， 反应 4.0h， 以78%的产率得到N,N'-bis(4,4-diethoxybutyl)perylene-3,4,9,10-tetracarboxylic diimide
  参考文献：
  名称：

  Luminescent one-dimensional nanostructures of perylene bisimides

  摘要：

  Perylene bisimides form a unique class of organic semiconductors, in this investigation two symmetrical perylene bisimides caped with 1-butyl (B-PTCDI) and 4,4'-diethoxybutyl (DB-PTCDI) have been synthesized and characterized. The compounds self-assembled as a network of nanobelts and nanorods in the solution based self-assembly process. Morphologies of these self-assembled structures were characterized by optical, fluorescence, scanning and transmission electronic microscopic techniques. One-dimensional self-assemblies of B-PTCDI and DB-PTCDI molecules are due to the strong pi-pi stacking ability of perylene core and assistance given by the side chains and solvent. Observed molecular self-assembly and electronic properties of the molecules. The observed self-assembly was supported by molecular modeling studies using density functional theory. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2013.05.010