pyridine(tetramethyl 4,4',4'',4'''-porphyrin-5,10,15,20-tetrabenzoato)zinc(II) | 916345-57-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: pyridine(tetramethyl 4,4',4'',4'''-porphyrin-5,10,15,20-tetrabenzoato)zinc(II)
• 英文别名: pyridine(tetrakis(4-methoxycarbonylphenyl)porphyrinato)zinc(II)
• CAS: 916345-57-8
• 化学式: C₅₇H₄₁N₅O₈Zn
• 分子量: 989.371
• InChiKey: VVBXAWLUHZYLAH-HTMHXADGSA-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：

  吡啶 、 [5,10,15,20-tetrakis(4-methoxycarbonylphenyl)porphyrinato]-Zn(II) 以 吡啶 、 氯仿 、 硝基苯 为溶剂， 生成 pyridine(tetramethyl 4,4',4'',4'''-porphyrin-5,10,15,20-tetrabenzoato)zinc(II)
  参考文献：
  名称：

  Clathrate solvates of tetrakis(4-methoxycarbonylphenyl)porphyrin and its zinc(II)–pyridine complex, in which the porphyrin host structures are stabilized by porphyrin–porphyrin stacking and C—H...O attractions

  摘要：

  Tetrakis(4-methoxycarbonylphenyl)porphyrin, or tetramethyl 4,4',4",4"'-porphyrin-5,10,15,20-tetrabenzoate, crystallizes as a nitrobenzene 1.9-solvate, C52H38N4O8 center dot 1.9C(6)H(5)NO(2), (I). The solvent molecules are contained in extended channels which propagate through the host lattice between parallel screw/ glide-related columns of offset-stacked porphyrin entities. Side packing of these columns involves pi-pi interactions between the methoxycarbonylphenyl residues. Molecules of the porphyrin host lie on crystallographic inversion centres. The zinc(II)-pyridine derivative pyridine(tetramethyl 4,4,4",4"'-porphyrin-5,10,15,20-tetrabenzoato)zinc(II), [Zn(C52H36N4O8)(C5H5N)], (II), is a square-pyramidal five-coordinate complex with pyridine as an apical ligand, which crystallizes as a chloroform-pyridine solvate. The metalloporphyrin-pyridine units form an open layered arrangement, occluding the non-coordinated solvent moieties within the intralayer interporphyrin voids. Within such arrays, the host porphyrin molecules are in contact with one another through the peripheral methoxycarbonyl substituents. The crystal packing consists of a bilayered arrangement of inversion-related porphyrin layers, with the axial ligands mutually penetrating into the voids of neighbouring arrays and tight offset stacking of these bilayers.

  DOI：

  10.1107/s010827010600641x