(23,73,123,173-tetraphenyl-tetrabenzimidazolo[5,6-b,g,l,q]-5,10,15,20-tetraazaporphyrinato)cobalt(II) | 825613-15-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: (23,73,123,173-tetraphenyl-tetrabenzimidazolo[5,6-b,g,l,q]-5,10,15,20-tetraazaporphyrinato)cobalt(II)
• CAS: 825613-15-8
• 化学式: C₆₀H₃₂CoN₁₆
• 分子量: 1036.01
• InChiKey: QNRYUSMTIHGEPY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.3
• 重原子数：
  77.0
• 可旋转键数：
  4.0
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  220.26
• 氢给体数：
  4.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  2-phenylbenzimidazole-5,6-dicarbonitrile 在 cobalt(II) chloride 作用下， 以30%的产率得到(23,73,123,173-tetraphenyl-tetrabenzimidazolo[5,6-b,g,l,q]-5,10,15,20-tetraazaporphyrinato)cobalt(II)
  参考文献：
  名称：

  Metal Complexes of Phthalocyanine Structural Analogs with Oxygen- or Nitrogen-containing Heterorings. Synthesis and Properties

  摘要：

  Nucleophilic substitution of the bromine atom and nitro group in 4-bromo-5-nitrophthalodinitrile and reduction of 4-benzoylamino-5-nitrophthalodinitrile gave, respectively, tribenzo[b,e,g][1,4]dioxocine-7,8-dicarbonitrile and 2-phenylbenzimidazole-5,6-dicarbonitrile. These compounds were used to synthesize new structural analogs of phthalocyanine, having oxygen- and nitrogen-containing heterorings, (tetratribenzo[b,e,g][1,4]dioxocino[7,8-b,g,l,q]-5,10,15,20-tetraazaporphyrinato)copper(II) and (23,73,123,173-tetraphenyl-tetrabenzimidazolo[5,6-b,g,l,q]-5,10,15,20-tetraazaporphyrinato)cobalt(II). Spectral properties of the resulting complexes were studied.

  DOI：

  10.1023/b:rugc.0000039096.32453.12