ZINC;7,10,20,23,33,36,46,49-octaethyl-2,7,10,15,20,23,28,33,36,41,46,49,53,55-tetradecaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,11,13,15,17,19(24),25,27(55),28,30,32(37),38,40,42(53),43,45(50),51-nonadecaene-8,9,21,22,34,35,47,48-octone | 1264550-20-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: ZINC;7,10,20,23,33,36,46,49-octaethyl-2,7,10,15,20,23,28,33,36,41,46,49,53,55-tetradecaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,11,13,15,17,19(24),25,27(55),28,30,32(37),38,40,42(53),43,45(50),51-nonadecaene-8,9,21,22,34,35,47,48-octone
• CAS: 1264550-20-0
• 化学式: C₅₆H₄₈N₁₆O₈Zn
• 分子量: 1138.49
• InChiKey: QDXPKKCDHNIMRX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.19
• 重原子数：
  81
• 可旋转键数：
  8
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  239
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  1,4-Diethyl-2,3-dioxoquinoxaline-6,7-dicarbonitrile 在 zinc acetate dehydrate 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 戊醇 为溶剂， 反应 6.0h， 以34%的产率得到ZINC;7,10,20,23,33,36,46,49-octaethyl-2,7,10,15,20,23,28,33,36,41,46,49,53,55-tetradecaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,11,13,15,17,19(24),25,27(55),28,30,32(37),38,40,42(53),43,45(50),51-nonadecaene-8,9,21,22,34,35,47,48-octone
  参考文献：
  名称：

  PHTHALOCYANINE COMPOUND, PREPARATION METHOD THEREFOR, AND COLORING COMPOSITION INCLUDING SAID PHTHALOCYANINE COMPOUND

  摘要：

  公开号：

  EP2465860B1