| 1000054-51-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• CAS: 1000054-51-2
• 化学式: C₃₆H₄₆N₄
• 分子量: 534.788
• InChiKey: YGQXROMRPRVLQC-UHFFFAOYSA-N

物化性质

• 沸点：
  689.2±65.0 °C(Predicted)
• 密度：
  1.07±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10.17
• 重原子数：
  40.0
• 可旋转键数：
  16.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  35.64
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  、 碘甲烷 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Phase-Tunable Fluorophores Based upon Benzobis(imidazolium) Salts

  摘要：

  A new series of highly photoluminescent benzobis(imidazolium) salts with tunable electronic and physical properties is described. Systematic structural manipulations provided a set of materials that were not only fluorescent in the condensed state but also displayed tunable glass transition temperatures ranging from -0.3 to 113 degrees C. Upon heating, these robust materials flowed while maintaining their emissive properties. Further phase tuning was demonstrated through the synthesis of two thermotropic liquid-crystalline fluorescent benzobis(imidazolium) salts.

  DOI：

  10.1021/ja075963d
• 作为产物：
  描述：

  4,6-dinitro-N,N'-bis(4-octylphenyl)-benzene-1,3-diamine 、 原甲酸三乙酯 在 palladium on activated charcoal 甲酸 、 sodium formate 作用下， 以80%的产率得到
  参考文献：
  名称：

  Phase-Tunable Fluorophores Based upon Benzobis(imidazolium) Salts

  摘要：

  A new series of highly photoluminescent benzobis(imidazolium) salts with tunable electronic and physical properties is described. Systematic structural manipulations provided a set of materials that were not only fluorescent in the condensed state but also displayed tunable glass transition temperatures ranging from -0.3 to 113 degrees C. Upon heating, these robust materials flowed while maintaining their emissive properties. Further phase tuning was demonstrated through the synthesis of two thermotropic liquid-crystalline fluorescent benzobis(imidazolium) salts.

  DOI：

  10.1021/ja075963d