| 1445568-06-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• CAS: 1445568-06-8
• 化学式: C₁₆H₁₄N₄*C₄₂H₄₂N₂₈O₁₄*ClH
• 分子量: 1461.75
• InChiKey: FMAXZQJWHSUMGB-AGNAEYGZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.96
• 重原子数：
  105.0
• 可旋转键数：
  3.0
• 环数：
  25.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  387.06
• 氢给体数：
  2.0
• 氢受体数：
  16.0

反应信息

• 作为产物：
  描述：

  sym-bis(benzimidazole)-2,2'-ethylene hydrochloride 、 cucurbituril 以 重水 为溶剂， 生成
  参考文献：
  名称：

  Supramolecular interactions of bisbenzimidazolyl derivatives with cucurbit[7]uril, potential axle molecules bearing a novel fluorescent signal response

  摘要：

  The supramolecular properties of cucurbit[7]uril and 1,omega-bisbenzimidazolyl derivatives have been studied by H-1 NMR, fluorescence emission spectroscopy, and X-ray single crystal analysis. The distinctly fluorescent response behaviors indicated that the benzimidazole moiety here not only acts as the optical signaling unit for the pseudorotaxane system, but also behaves as a proton acceptor during the host-guest complexation. Furthermore, the fluorescent signals intensity could be adjusted by varying the alkylene spacer between the two benzimidazole moieties. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.05.031