(7,8,17,18-tetracyano-5,10,15,20-tetraphenylporphyrinato)nickel(II) | 253191-60-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: (7,8,17,18-tetracyano-5,10,15,20-tetraphenylporphyrinato)nickel(II)
• CAS: 253191-60-5
• 化学式: C₄₈H₂₄N₈Ni
• 分子量: 771.462
• InChiKey: FYSJAVFFECAPBO-RNUPRMEOSA-N

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

• 作为反应物：
  描述：

  吡啶 、 (7,8,17,18-tetracyano-5,10,15,20-tetraphenylporphyrinato)nickel(II) 以 二氯甲烷 为溶剂， 以99%的产率得到bis(pyridine-N)(7,8,17,18-tetracyano-5,10,15,20-tetraphenylporphyrinato)nickel(II) dimethanol solvate
  参考文献：
  名称：

  Bis(pyridine-N)(7,8,17,18-tetracyano-5,10,15,20-tetraphenylporphyrinato)nickel(II) Dimethanol Solvate

  摘要：

  The title compound, [Ni(C48H24N8)(C5H5N)(2)].2CH(4)O, is a high-spin bis(pyridine)-Ni-II derivative of an antipodally beta-pyrrole-tetracyano-substituted meso-tetraphenylporphyrin. The [Ni(py)2{tpp(CN)(4)}] molecule [py is pyridine and tpp(CN)(4) is 7,8,17,18-tetracyano-5,10,15,20-tetraphenylporphyrinato] lies on a crystallographic centre of symmetry, but its non-crystallographic symmetry is close to D-2h. The core of the tpp(CN)(4), porphyrin dianion is essentially planar. The high-spin state of the Ni-II cation leads to a lengthening of the Ni-N(pyrrole) bond distances relative to those present in the low-spin [Ni(II)tpp] derivative. Moreover, the electron-withdrawing beta-pyrrole cyano substituents, which lie in the antipodal pyrrolic rings, cause an increase in the C7-C8 and the antipodal C7'-C8' bond distances as well as an opening of the C6-N2-C9 and the antipodal C6'-N2'-C9' bond angles.

  DOI：

  10.1107/s0108270197003995