Copper;7,10,16,19,29,32,38,41,51,54,60,63,73,76,82,85-hexadecaoxa-2,13,24,35,46,57,68,79,89,91-decaza-90,92-diazanidatridecacyclo[67.19.1.13,23.125,45.147,67.04,22.06,20.026,44.028,42.048,66.050,64.070,88.072,86]dononaconta-1,3,5,20,22,24,26,28(42),43,45(91),46,48,50(64),65,67,69(89),70,72(86),87-nonadecaene | 119877-82-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: Copper;7,10,16,19,29,32,38,41,51,54,60,63,73,76,82,85-hexadecaoxa-2,13,24,35,46,57,68,79,89,91-decaza-90,92-diazanidatridecacyclo[67.19.1.13,23.125,45.147,67.04,22.06,20.026,44.028,42.048,66.050,64.070,88.072,86]dononaconta-1,3,5,20,22,24,26,28(42),43,45(91),46,48,50(64),65,67,69(89),70,72(86),87-nonadecaene
• CAS: 119877-82-6
• 化学式: C₆₄H₇₆CuN₁₂O₁₆
• 分子量: 1332.92
• InChiKey: BHTXHOUZHGAQKH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  93
• 可旋转键数：
  0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  272
• 氢给体数：
  4
• 氢受体数：
  24

反应信息

• 作为产物：
  描述：

  copper(l) cyanide 、 15,16-dibromo-2,3,6,7,8,9,11,12-octahydro-5H-benzo<1,4,7,10,13>tetroxazacyclopentadecine 在 吡啶 作用下， 以 melt 为溶剂， 以28%的产率得到Copper;7,10,16,19,29,32,38,41,51,54,60,63,73,76,82,85-hexadecaoxa-2,13,24,35,46,57,68,79,89,91-decaza-90,92-diazanidatridecacyclo[67.19.1.13,23.125,45.147,67.04,22.06,20.026,44.028,42.048,66.050,64.070,88.072,86]dononaconta-1,3,5,20,22,24,26,28(42),43,45(91),46,48,50(64),65,67,69(89),70,72(86),87-nonadecaene
  参考文献：
  名称：

  Ahsen, Vefa; Ayseguel, Guerek; Musluoglu, Emel, Chemische Berichte, 1989, vol. 122, p. 1073 - 1074

  摘要：

  DOI：