1-[2-[2-(Benzotriazol-1-yl)-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]benzotriazole

• 分子结构分类: 有机化合物 - 苯类化合物 - 二苯并环庚烯
• 英文名称: 1-[2-[2-(Benzotriazol-1-yl)-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]benzotriazole
• 化学式: C₄₂H₃₂N₆
• 分子量: 620.756
• InChiKey: ZPZWVEGIUWRVCL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  48
• 可旋转键数：
  3
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  61.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-(2-Tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)benzotriazole 在 正丁基锂 、 水 、 碘 作用下， 生成 2-Azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-1,3,5,7,9,11,13(22),16,18,20-decaene 、 1-[2-[2-(Benzotriazol-1-yl)-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]benzotriazole
  参考文献：
  名称：

  Novel Heteroatom-Linked Analogues of Trityl Radicals:  Diaryl(benzotriazol-1-yl)methyl Radical Dimers

  摘要：

  The lithiation of diaryl(benzotriazol-1-yl)methanes followed by addition of iodine generates phenanthridines and dimers of hitherto unknown trityl analogues in which the radical center is directly attached to a heteroatom These dimers differ from those of triarylmethyl radicals by not dissociating in solution, but variable temperature ESR measurements provided direct evidence for the formation of the corresponding diaryl(benzotriazol-1-yl)methyl radicals as intermediates in solution.

  DOI：

  10.1021/jo9715229

文献信息

• Novel Heteroatom-Linked Analogues of Trityl Radicals:  Diaryl(benzotriazol-1-yl)methyl Radical Dimers
  作者：Alan R. Katritzky、Baozhen Yang、Naresh S. Dalal

  DOI：10.1021/jo9715229

  日期：1998.3.1

  The lithiation of diaryl(benzotriazol-1-yl)methanes followed by addition of iodine generates phenanthridines and dimers of hitherto unknown trityl analogues in which the radical center is directly attached to a heteroatom These dimers differ from those of triarylmethyl radicals by not dissociating in solution, but variable temperature ESR measurements provided direct evidence for the formation of the corresponding diaryl(benzotriazol-1-yl)methyl radicals as intermediates in solution.