4-[3,5-Bis(3,6-dipyridin-3-ylpyridazin-4-yl)phenyl]-3,6-dipyridin-3-ylpyridazine | 1224741-61-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-[3,5-Bis(3,6-dipyridin-3-ylpyridazin-4-yl)phenyl]-3,6-dipyridin-3-ylpyridazine
• 英文别名: 4-[3,5-bis(3,6-dipyridin-3-ylpyridazin-4-yl)phenyl]-3,6-dipyridin-3-ylpyridazine
• CAS: 1224741-61-0
• 化学式: C₄₈H₃₀N₁₂
• 分子量: 774.847
• InChiKey: WMSPDLLEVOQYJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  60
• 可旋转键数：
  9
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  155
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  1,3,5-三乙炔苯 、 3,6-二(3-吡啶基)-1,2,4,5-四氮杂苯 以 甲苯 为溶剂， 反应 48.0h， 生成 4-[3,5-Bis(3,6-dipyridin-3-ylpyridazin-4-yl)phenyl]-3,6-dipyridin-3-ylpyridazine
  参考文献：
  名称：

  Pyridazines in Crystal Engineering. A Systematic Evaluation of the Role of Isomerism and Steric Factors in Determining Crystal Packing and Nano/Microcrystal Morphologies

  摘要：

  The present study focuses on understanding hydrogen bond patterns in a series of variably substituted pyridyl-pyridazines as a function of positional isomerism and steric factors. A relatively uncommon multiple hydrogen bond acceptor nature of pyridazine has been observed in the di- and tripyridazinc compounds. With increasing aromatic substitution and thereby steric hindrance, a systematic transition has been observed from close-packed to porous solvated assemblies. Distinct morphologies of the organic nano/microparticles, obtained by the precipitation method, indicate that the molecules interact with the solvent system in different ways.

  DOI：

  10.1021/cg9015383

文献信息

• Pyridazines in Crystal Engineering. A Systematic Evaluation of the Role of Isomerism and Steric Factors in Determining Crystal Packing and Nano/Microcrystal Morphologies
  作者：Sunil Varughese、Sylvia M. Draper

  DOI：10.1021/cg9015383

  日期：2010.6.2

  The present study focuses on understanding hydrogen bond patterns in a series of variably substituted pyridyl-pyridazines as a function of positional isomerism and steric factors. A relatively uncommon multiple hydrogen bond acceptor nature of pyridazine has been observed in the di- and tripyridazinc compounds. With increasing aromatic substitution and thereby steric hindrance, a systematic transition has been observed from close-packed to porous solvated assemblies. Distinct morphologies of the organic nano/microparticles, obtained by the precipitation method, indicate that the molecules interact with the solvent system in different ways.