2,4,5,7,16,18,19,21,29,30,31,32-dodecaazaheptacyclo[20.6.1.1(3,6).1(8,15).1(17,20).0(9,14).0(23,28)]dotriaconta-1,3,6(32),7,9,11,13,15,17,20(30),21,23,25,27-tetradecaene | 27035-16-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 2,4,5,7,16,18,19,21,29,30,31,32-dodecaazaheptacyclo[20.6.1.1(3,6).1(8,15).1(17,20).0(9,14).0(23,28)]dotriaconta-1,3,6(32),7,9,11,13,15,17,20(30),21,23,25,27-tetradecaene
• 英文别名: 2,4,5,7,16,18,19,21,29,30,31,32-Dodecazaheptacyclo[20.6.1.13,6.18,15.117,20.09,14.023,28]dotriaconta-1,3(32),6,8(31),9,11,13,15,17(30),20,22(29),23,25,27-tetradecaene；2,4,5,7,16,18,19,21,29,30,31,32-dodecazaheptacyclo[20.6.1.13,6.18,15.117,20.09,14.023,28]dotriaconta-1,3(32),6,8(31),9,11,13,15,17(30),20,22(29),23,25,27-tetradecaene
• CAS: 27035-16-1；130643-25-3
• 化学式: C₂₀H₁₂N₁₂
• 分子量: 420.396
• InChiKey: CSHISJWHFOTJKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  32
• 可旋转键数：
  0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  147
• 氢给体数：
  4
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  2,4,5,7,16,18,19,21,29,30,31,32-dodecaazaheptacyclo[20.6.1.1(3,6).1(8,15).1(17,20).0(9,14).0(23,28)]dotriaconta-1,3,6(32),7,9,11,13,15,17,20(30),21,23,25,27-tetradecaene 在 四氯化钛 作用下， 以 硝基苯 为溶剂， 反应 6.0h， 以81%的产率得到29,31-dichlorotitanium-2,4,5,7,16,18,19,21,29,30,31,32-dodecaazaheptacyclo[20.6.1.1^3,6.1^8,15.1^7,20.0^9,14.0^23,28]dotriaconta-1,3,6(32),7,9,11,13,15,17,20(30),21,23,25,27-tetradecaene
  参考文献：
  名称：

  摘要：

  Symmetrical marcoheterocyclic compounds derived from substituted 1,2,4-triazoles were reacted with tin(IV) and titanium(IV) chlorides to prepare the corresponding metal complexes. Macroheterocyclic compounds insoluble in organic solvents give mixtures of products on complex formation.

  DOI：

  10.1023/a:1024716810867
• 作为产物：
  描述：

  3,3-二甲氧基异吲哚-1-胺 以 正丁醇 为溶剂， 生成 2,4,5,7,16,18,19,21,29,30,31,32-dodecaazaheptacyclo[20.6.1.1(3,6).1(8,15).1(17,20).0(9,14).0(23,28)]dotriaconta-1,3,6(32),7,9,11,13,15,17,20(30),21,23,25,27-tetradecaene
  参考文献：
  名称：

  Synthesis and study of antitumor activity of macroheterocyclic compounds and their metallocomplexes

  摘要：

  DOI：

  10.1007/bf02464352

文献信息

• Fernandez-Lazaro, Fernando; Mendoza, Javier de; Mo, Otilia, Journal of the Chemical Society. Perkin transactions II, 1989, p. 797 - 804
  作者：Fernandez-Lazaro, Fernando、Mendoza, Javier de、Mo, Otilia、Rodriguez-Morgade, Salome、Torres, Tomas、et al.

  DOI：——

  日期：——
• ——
  作者：L. D. Yagodarova、E. A. Danilova、R. P. Smirnov

  DOI：10.1023/a:1024716810867

  日期：——

  Symmetrical marcoheterocyclic compounds derived from substituted 1,2,4-triazoles were reacted with tin(IV) and titanium(IV) chlorides to prepare the corresponding metal complexes. Macroheterocyclic compounds insoluble in organic solvents give mixtures of products on complex formation.
• Synthesis and study of antitumor activity of macroheterocyclic compounds and their metallocomplexes
  作者：M. K. Islyaikin、E. A. Danilova、E. V. Kudrik、R. P. Smirnov、A. P. Budunova、A. S. Kinzirskii

  DOI：10.1007/bf02464352

  日期：1997.8