1,1'-(1,4-phenylene)bis(3-(2,3,5,6-tetramethylbenzyl)-1H-benzo[d]imidazol-3-ium) | 1442477-25-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 1,1'-(1,4-phenylene)bis(3-(2,3,5,6-tetramethylbenzyl)-1H-benzo[d]imidazol-3-ium)
• CAS: 1442477-25-9
• 化学式: C₄₂H₄₄N₄
• 分子量: 604.838
• InChiKey: OSVWAHDXFUNAQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.71
• 重原子数：
  46.0
• 可旋转键数：
  6.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  17.62
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1,1'-(1,4-phenylene)bis(3-(2,3,5,6-tetramethylbenzyl)-1H-benzo[d]imidazol-3-ium) 在 ammonium hexafluorophosphate 作用下， 以 甲醇 、 水 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  Aggregation Induced Emission Enhancement in Ionic Self-Assembled Aggregates of Benzimidazolium Based Cyclophane and Sodium Dodecylbenzenesulfonate

  摘要：

  Cyclophane BIMCP-1 undergoes ionic self-assembly with surfactant sodium dodecylbenzenesulfonate (SOBS) at a concentration far below its CMC value to form aggregates with spherical morphology. The rotational restriction of rings in these aggregates facilitates 32-fold enhancement in emission intensity (AIEE) to allow fluorescence based determination of SOBS with 4 mu M (1.4 ppm) as the lowest detection limit. Sodium salts of fatty acids and inorganic anions halides, CN-, HSO4-, SO42-, H2PO4-, SCN-, and NO3- do not interfere in the estimation of SDBS.

  DOI：

  10.1021/ol401452t
• 作为产物：
  描述：

  1,4-双(1H-苯并[D]咪唑-1-基)苯 、 2,3,5,6-tetramethylbenzyl bromide 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 1,1'-(1,4-phenylene)bis(3-(2,3,5,6-tetramethylbenzyl)-1H-benzo[d]imidazol-3-ium)
  参考文献：
  名称：

  Aggregation Induced Emission Enhancement in Ionic Self-Assembled Aggregates of Benzimidazolium Based Cyclophane and Sodium Dodecylbenzenesulfonate

  摘要：

  Cyclophane BIMCP-1 undergoes ionic self-assembly with surfactant sodium dodecylbenzenesulfonate (SOBS) at a concentration far below its CMC value to form aggregates with spherical morphology. The rotational restriction of rings in these aggregates facilitates 32-fold enhancement in emission intensity (AIEE) to allow fluorescence based determination of SOBS with 4 mu M (1.4 ppm) as the lowest detection limit. Sodium salts of fatty acids and inorganic anions halides, CN-, HSO4-, SO42-, H2PO4-, SCN-, and NO3- do not interfere in the estimation of SDBS.

  DOI：

  10.1021/ol401452t