3,14,22,33,41,52-Hexabenzyl-3,7,10,14,22,26,29,33,41,45,48,52-dodecaazadecacyclo<33.3.1.1418,37.25,8.29,12.224,27.228,31.243,46.247,50.116,2>-hexahexaconta-5,7,9,11,16,18,24,26,28,30,35,37,39,43,45,47,49,54,56,58,60,62,64,66-tetracosaen | 120417-43-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3,14,22,33,41,52-Hexabenzyl-3,7,10,14,22,26,29,33,41,45,48,52-dodecaazadecacyclo<33.3.1.1418,37.25,8.29,12.224,27.228,31.243,46.247,50.116,2>-hexahexaconta-5,7,9,11,16,18,24,26,28,30,35,37,39,43,45,47,49,54,56,58,60,62,64,66-tetracosaen
• 英文别名: 3,14,22,33,41,52-Hexabenzyl-3,7,10,14,22,26,29,33,41,45,48,52-dodecaazadecacyclo<33.3.1.14^18,37.2^5,8.2^9,12.2^24,27.2^28,31.2^43,46.2^47,50.1^16,2>-hexahexaconta-5,7,9,11,16,18,24,26,28,30,35,37,39,43,45,47,49,54,56,58,60,62,64,66-tetracosaen；3,14,22,33,41,52-Hexabenzyl-3,7,10,14,22,26,29,33,41,45,48,52-dodecaazadecacyclo[33.3.1.14^18,37.2^5,8.2^9,12.2^24,27.2^28,31.2^43,46.2^47,50.1^16,2]-hexahexaconta-5,7,9,11,16,18,24,26,28,30,35,37,39,43,45,47,49,54,56,58,60,62,64,66-tetracosaen
• CAS: 120417-43-8
• 化学式: BrNa*C₉₆H₉₀N₁₂
• 分子量: 1514.74
• InChiKey: ZVBZBEDOOWLAIO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  19.36
• 重原子数：
  110.0
• 可旋转键数：
  12.0
• 环数：
  35.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  96.78
• 氢给体数：
  0.0
• 氢受体数：
  12.0

反应信息

• 作为产物：
  描述：

  1,3,5-trisbenzene 、 5,5'-二溴甲基-2,2'-联吡啶 在 sodium carbonate 作用下， 以 乙腈 为溶剂， 反应 15.0h， 以4%的产率得到3,14,22,33,41,52-Hexabenzyl-3,7,10,14,22,26,29,33,41,45,48,52-dodecaazadecacyclo<33.3.1.1418,37.25,8.29,12.224,27.228,31.243,46.247,50.116,2>-hexahexaconta-5,7,9,11,16,18,24,26,28,30,35,37,39,43,45,47,49,54,56,58,60,62,64,66-tetracosaen
  参考文献：
  名称：

  Ebmeyer, Frank; Voegtle, Fritz, Chemische Berichte, 1989, vol. 122, p. 1725 - 1728

  摘要：

  DOI：