2,11,20,29,37,38,39-heptaza-40-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;neodymium(3+) | 12369-76-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: 2,11,20,29,37,38,39-heptaza-40-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;neodymium(3+)
• CAS: 12369-76-5
• 化学式: C₆₄H₃₃N₁₆Nd
• 分子量: 1170.31
• InChiKey: AONMPUYHMPFSRX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.63
• 重原子数：
  81.0
• 可旋转键数：
  0.0
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  212.77
• 氢给体数：
  1.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  2,11,20,29,37,38,39-heptaza-40-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;neodymium(3+) 以 二氯甲烷 、 乙腈 为溶剂， 生成 [(phthalocyaninate(2-))Nd(III)(phthalocyaninate(1-))]
  参考文献：
  名称：

  Kasuga, Kuninobu; Morimoto, Hideharu; Ando, Motonori, Inorganic Chemistry, 1986, vol. 25, # 14, p. 2478 - 2479

  摘要：

  DOI：
• 作为产物：
  描述：

  1,2-二氰基苯 、 neodymium(III) acetate 生成 2,11,20,29,37,38,39-heptaza-40-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;neodymium(3+) 、
  参考文献：
  名称：

  σ and π-interactions of the pyrrolic ligand of sandwich-like lanthanide phthalocyanines determined from magnetic susceptibility and ligand-field theory

  摘要：

  DOI：

  10.1016/s0020-1693(00)80862-2

文献信息

• σ and π-interactions of the pyrrolic ligand of sandwich-like lanthanide phthalocyanines determined from magnetic susceptibility and ligand-field theory
  作者：Juan Padilla、William E. Hatfield

  DOI：10.1016/s0020-1693(00)80862-2

  日期：1990.6
• Kasuga, Kuninobu; Morimoto, Hideharu; Ando, Motonori, Inorganic Chemistry, 1986, vol. 25, # 14, p. 2478 - 2479
  作者：Kasuga, Kuninobu、Morimoto, Hideharu、Ando, Motonori

  DOI：——

  日期：——