5,19-didecyl-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 | 624747-96-2

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 5,19-didecyl-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
• 英文别名: 4,18-Didecyl-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: 624747-96-2
• 化学式: C₄₀H₅₂N₁₂
• 分子量: 700.933
• InChiKey: RIDLKWQXUGTGQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.2
• 重原子数：
  52
• 可旋转键数：
  18
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  129
• 氢给体数：
  2
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  5,19-didecyl-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 在 四氯化钛 作用下， 以 various solvent(s) 为溶剂， 反应 20.0h， 以44%的产率得到29,31-dichlorotitanium-5,19-didecyl-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：

  癸基溴 在 甲醇 、 sodium 作用下， 以 乙二醇 为溶剂， 反应 14.0h， 生成 5,19-didecyl-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