2,7,15,20-Tetrakis(4-methoxyphenyl)-2,7,15,20-tetrazaheptacyclo[19.5.3.38,14.23,6.216,19.024,28.011,33]hexatriaconta-1(27),3(36),4,6(35),8(34),9,11(33),12,14(32),16,18,21(29),22,24(28),25,30-hexadecaene | 252255-19-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2,7,15,20-Tetrakis(4-methoxyphenyl)-2,7,15,20-tetrazaheptacyclo[19.5.3.38,14.23,6.216,19.024,28.011,33]hexatriaconta-1(27),3(36),4,6(35),8(34),9,11(33),12,14(32),16,18,21(29),22,24(28),25,30-hexadecaene
• 英文别名: 2,7,15,20-tetrakis(4-methoxyphenyl)-2,7,15,20-tetrazaheptacyclo[19.5.3.38,14.23,6.216,19.024,28.011,33]hexatriaconta-1(27),3(36),4,6(35),8(34),9,11(33),12,14(32),16,18,21(29),22,24(28),25,30-hexadecaene
• CAS: 252255-19-9
• 化学式: C₆₀H₄₈N₄O₄
• 分子量: 889.066
• InChiKey: YJIBWYNXYTXRJP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.3
• 重原子数：
  68
• 可旋转键数：
  8
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  56.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,7,15,20-Tetrakis(4-methoxyphenyl)-2,7,15,20-tetrazaheptacyclo[19.5.3.38,14.23,6.216,19.024,28.011,33]hexatriaconta-1(27),3(36),4,6(35),8(34),9,11(33),12,14(32),16,18,21(29),22,24(28),25,30-hexadecaene 在 thianthrenium perchlorate 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Macrocyclic Poly Arylamines for Rigid Connection of Poly Radical Cation Spins

  摘要：

  [GRAPHICS]The synthesis of macrocyclic arylamines 3 and 4 is reported, These structures yield conformationally rigid polyradical cations for investigation of their electron spin properties, Dication 3(2+) has dual N and N' connection of its p-phenylenediamine radical cation units via 2,7-naphthalene bridges, By ESR and NMR analysis, 3(2+) is found to possess a populated, low-lying triplet excited state, Macrocycle 4 undergoes multielectron oxidation as observed by cyclic voltammetry to yield polycations with more limited kinetic stability.

  DOI：

  10.1021/ol991040e
• 作为产物：
  描述：

  N,N'-bis(4-methoxyphenyl)-2,7-napthalenediamine 在 铜 、 potassium carbonate 作用下， 以 二苯醚 为溶剂， 反应 84.0h， 生成 2,7,15,20-Tetrakis(4-methoxyphenyl)-2,7,15,20-tetrazaheptacyclo[19.5.3.38,14.23,6.216,19.024,28.011,33]hexatriaconta-1(27),3(36),4,6(35),8(34),9,11(33),12,14(32),16,18,21(29),22,24(28),25,30-hexadecaene
  参考文献：
  名称：

  Macrocyclic Poly Arylamines for Rigid Connection of Poly Radical Cation Spins

  摘要：

  [GRAPHICS]The synthesis of macrocyclic arylamines 3 and 4 is reported, These structures yield conformationally rigid polyradical cations for investigation of their electron spin properties, Dication 3(2+) has dual N and N' connection of its p-phenylenediamine radical cation units via 2,7-naphthalene bridges, By ESR and NMR analysis, 3(2+) is found to possess a populated, low-lying triplet excited state, Macrocycle 4 undergoes multielectron oxidation as observed by cyclic voltammetry to yield polycations with more limited kinetic stability.

  DOI：

  10.1021/ol991040e