octacyanopyrazinoporphyrazine | 887404-04-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: octacyanopyrazinoporphyrazine
• 英文别名: 2,5,8,11,14,17,20,23,26,29,32,35,37,38,39,40-Hexadecazanonacyclo[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(38),30(37),31,33,35-nonadecaene-6,7,15,16,24,25,33,34-octacarbonitrile
• CAS: 887404-04-8
• 化学式: C₃₂H₂N₂₄
• 分子量: 722.529
• InChiKey: HYUJEQQOENOHKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  56
• 可旋转键数：
  0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  402
• 氢给体数：
  2
• 氢受体数：
  22

反应信息

• 作为产物：
  描述：

  2,3,5,6-吡嗪四腈 以82%的产率得到octacyanopyrazinoporphyrazine
  参考文献：
  名称：

  Synthesis and spectral properties of octacyanopyrazinoporphyrazine and its metallocomplexes

  摘要：

  Octacyanopyrazinoporphyrazine was for first time synthesized by template tetramerization of tetracyanopyrazine, and its complexes with bivalent metals were prepared. The compounds obtained were characterized by MALDI-TOF mass spectral data, elemental analysis, IR, and electronic spectroscopy.

  DOI：

  10.1134/s1070363209120214