(1R,5S,20R,24S)-9,16,28,35-tetrazatridecacyclo[22.14.6.65,20.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34.039,44.045,50]pentaconta-2(23),4(21),6,8,10,12,14,16,18,25,27,29,31,33,35,37,39,41,43,45,47,49-docosaene-3,22-dione | 1253948-43-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 并四苯
• 英文名称: (1R,5S,20R,24S)-9,16,28,35-tetrazatridecacyclo[22.14.6.65,20.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34.039,44.045,50]pentaconta-2(23),4(21),6,8,10,12,14,16,18,25,27,29,31,33,35,37,39,41,43,45,47,49-docosaene-3,22-dione
• CAS: 1253948-43-4
• 化学式: C₄₆H₂₄N₄O₂
• 分子量: 664.722
• InChiKey: JMLBXLWHLBISCM-AJXFNKDUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  52
• 可旋转键数：
  0
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  85.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (1S,5R,12S,16R)-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),4(13),6,10,17,21,23,25,27,29,31,33-dodecaene-3,8,9,14,19,20-hexone 、 邻苯二胺 以 乙醇 为溶剂， 以70%的产率得到(1R,5S,20R,24S)-9,16,28,35-tetrazatridecacyclo[22.14.6.65,20.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34.039,44.045,50]pentaconta-2(23),4(21),6,8,10,12,14,16,18,25,27,29,31,33,35,37,39,41,43,45,47,49-docosaene-3,22-dione
  参考文献：
  名称：

  Synthesis, Structure, and Binding Property of Pentiptycene-Based Rigid Tweezer-like Molecules

  摘要：

  A series of pentiptycene-derived rigid tweezer-like molecules have been efficiently synthesized, and their structures have been determined by NMR, MS spectra, and X-ray analysis. Moreover, it was also found that molecular tweezer 15 showed efficient binding ability toward C-60.

  DOI：

  10.1021/jo101313w

文献信息

• Synthesis, Structure, and Binding Property of Pentiptycene-Based Rigid Tweezer-like Molecules
  作者：Jing Cao、Xiao-Zhang Zhu、Chuan-Feng Chen

  DOI：10.1021/jo101313w

  日期：2010.11.5

  A series of pentiptycene-derived rigid tweezer-like molecules have been efficiently synthesized, and their structures have been determined by NMR, MS spectra, and X-ray analysis. Moreover, it was also found that molecular tweezer 15 showed efficient binding ability toward C-60.