[Mn(tetraphenylporphyrinato)(N,N'-bis(3-pyridyl)urea)2]Cl*(toluene)*(chloroform) | 951224-80-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: [Mn(tetraphenylporphyrinato)(N,N'-bis(3-pyridyl)urea)2]Cl*(toluene)*(chloroform)
• 英文别名: [(MnTPP)(3BPU)2]Cl*(toluene)*(chloroform)
• CAS: 951224-80-9
• 化学式: CHCl₃*C₇H₈*C₆₆H₄₈MnN₁₂O₂*Cl
• 分子量: 1343.1
• InChiKey: RBTRBEILIJGJEF-VHQKYWFPSA-M

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  氯仿 、 甲苯 、 (5,10,15,20-tetraphenylporphyrinato)manganese(III) chloride 、 N,N'-双(3-吡啶)脲 以 甲醇 、 氯仿 、 甲苯 为溶剂， 生成 [Mn(tetraphenylporphyrinato)(N,N'-bis(3-pyridyl)urea)2]Cl*(toluene)*(chloroform)
  参考文献：
  名称：

  Metalloporphyrin-Based Inclusion Materials:  Exploiting Ligating Topologies and Hydrogen-Bonding Backbones in Generating New Supramolecular Architectures

  摘要：

  By coordination of the metal center of tetraphenylmetalloporphyrins (TPMP) [metal center = Zn(II) or Mn(II)] with pyridyl-based bidentate ligands, namely, N,N'-bis(4-pyridyl)urea (4BPU), N,N'-bis(3-pyridyl)urea (3BPU), and N-(4-pyridyl)isonicotinamide (4PIN), various axially modified tetraarylmetalloporphyrins (AMTAMPs) have been crystallographically characterized in their corresponding lattice inclusion complexes. Nine such inclusion crystals are prepared by crystallizing TPMP and the corresponding bidentate ligands in 1:2 molar ratio from suitable solvent systems. While the metal center Zn(II) of TPMP leads to the formation of both dimeric and monomeric AMTAMPs due to its preference for pentacoordinated geometry, the Mn(II) metal center of TPMP forms both polymeric and discrete hexacoordinated AMTAMPs due to its preference for hexacoordinated geometry. However, there seem to be no control on the formation of a particular AMTAMP. Structural analyses suggest that most of the AMTAMPs display new types of packing in the corresponding inclusion crystals.

  DOI：

  10.1021/ic0702163