4-[4-(3,6-二苯基哒嗪-4-基)苯基]-3,6-二苯基哒嗪 | 918447-48-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 4-[4-(3,6-二苯基哒嗪-4-基)苯基]-3,6-二苯基哒嗪
• 英文名称: 1,4-bis(3,6-diphenylpyridazin-4-yl)benzene
• 英文别名: 4,4'-(1,4-Phenylene)bis(3,6-diphenylpyridazine)；4-[4-(3,6-diphenylpyridazin-4-yl)phenyl]-3,6-diphenylpyridazine
• CAS: 918447-48-0
• 化学式: C₃₈H₂₆N₄
• 分子量: 538.651
• InChiKey: VGWBDEZYSCCJAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  42
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3,6-二苯基-1,2,4,5-四嗪 、 1,4-二乙酰苯 以 四氢呋喃 为溶剂， 反应 3.0h， 以53%的产率得到4-[4-(3,6-二苯基哒嗪-4-基)苯基]-3,6-二苯基哒嗪
  参考文献：
  名称：

  Microporous Material Based on π-π Stacking of 1,4-Bis(3,6-diphenylpyridazin-4-yl)benzene

  摘要：

  A microporous material constructed by pi-pi interaction of a twisted H-shape poly-aromatic molecule, 1,4-bis(3,6-diphenylpyridazin-4-yl)benzene (1) was synthesized and X-ray quality crystals were isolated. The intermolecular distances between the various aromatic rings are within the range of 3.4 similar to 3.7 angstrom, which indicate intermolecular pi-pi interactions. Hexagonal channels with pores of 13 angstrom width along the c-axis were observed. Interstitial H2O and MeOH molecules were located within each porous channel.

  DOI：

  10.1080/15421400600788708