3,5-dicyano-2,4,6-tris(3,4-didecyloxy-styryl)-pyridine

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 3,5-dicyano-2,4,6-tris(3,4-didecyloxy-styryl)-pyridine
• 英文别名: 2,4,6-tris[(E)-2-(3,4-didecoxyphenyl)ethenyl]pyridine-3,5-dicarbonitrile
• 化学式: C₉₁H₁₄₁N₃O₆
• 分子量: 1373.14
• InChiKey: XCNSSJHLDCUEBD-SYDCFZRYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  34
• 重原子数：
  100
• 可旋转键数：
  66
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  116
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  3,5-二溴-2,4,6-三甲基吡啶 在 2-甲基苯磺酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 3,5-dicyano-2,4,6-tris(3,4-didecyloxy-styryl)-pyridine
  参考文献：
  名称：

  Self-assembled Columnar Mesophase from a New Disclike Polar Mesogen Based on a 3,5-Dicyano-2,4,6-Tristyrylpyridine Core

  摘要：

  We report on the design and synthesis of a new disc-like liquid crystal based on a 3,5-dicyano-2,4,6-tristyrylpyridine core. The mesogenic behavior was investigated by differential scanning calorimetry, polarized-light optical microscopy, and X-ray diffraction. The disc-like structure self-assembles into a hexagonal columnar mesophase and, due to the permanent dipole exhibited by the isolated molecule, the stacking along the columnar axis is antiparallel. Besides two-dimensional charge transfer and fluorescence, the disk-like molecule exhibits a high electron affinity due to the strong acceptor character of the 3,5-dicyanopyridine core.

  DOI：

  10.1080/15421400490478803