Dicopper;10,11,19,20,28,29,43,44,52,53,61,62-dodecakis(2-ethylhexoxy)-6,15,24,33,39,48,57,66,68,70,72,74-dodecaza-67,69,71,73-tetrazanidaheptadecacyclo[36.28.1.15,34.17,14.116,23.125,32.140,47.149,56.158,65.02,37.04,35.08,13.017,22.026,31.041,46.050,55.059,64]tetraheptaconta-1,3,5,7(74),8,10,12,14,16,18,20,22,24,26,28,30,32(72),33,35,37,39,41,43,45,47(70),48,50,52,54,56,58(68),59,61,63,65-pentatriacontaene | 159625-05-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: Dicopper;10,11,19,20,28,29,43,44,52,53,61,62-dodecakis(2-ethylhexoxy)-6,15,24,33,39,48,57,66,68,70,72,74-dodecaza-67,69,71,73-tetrazanidaheptadecacyclo[36.28.1.15,34.17,14.116,23.125,32.140,47.149,56.158,65.02,37.04,35.08,13.017,22.026,31.041,46.050,55.059,64]tetraheptaconta-1,3,5,7(74),8,10,12,14,16,18,20,22,24,26,28,30,32(72),33,35,37,39,41,43,45,47(70),48,50,52,54,56,58(68),59,61,63,65-pentatriacontaene
• CAS: 159625-05-5
• 化学式: C₁₅₄H₂₁₈Cu₂N₁₆O₁₂
• 分子量: 2612.62
• InChiKey: OAOLRMYJQKARSP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  41.71
• 重原子数：
  184
• 可旋转键数：
  84
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  263
• 氢给体数：
  0
• 氢受体数：
  20

反应信息

• 作为产物：
  描述：

  1,2,4,5-四氰基苯 、 铜 、 4,5-bis((2-ethylhexyl)oxy)-1,2-phthalonitrile 以 喹啉 为溶剂， 以0.7%的产率得到Dicopper;10,11,19,20,28,29,43,44,52,53,61,62-dodecakis(2-ethylhexoxy)-6,15,24,33,39,48,57,66,68,70,72,74-dodecaza-67,69,71,73-tetrazanidaheptadecacyclo[36.28.1.15,34.17,14.116,23.125,32.140,47.149,56.158,65.02,37.04,35.08,13.017,22.026,31.041,46.050,55.059,64]tetraheptaconta-1,3,5,7(74),8,10,12,14,16,18,20,22,24,26,28,30,32(72),33,35,37,39,41,43,45,47(70),48,50,52,54,56,58(68),59,61,63,65-pentatriacontaene
  参考文献：
  名称：

  二聚体取代的铜酞菁液晶。合成、表征和磁性

  摘要：

  描述了被十二 (2-乙基己基) 氧基侧链取代的双酞菁衍生物的合成和表征 (凝胶渗透色谱、FAB 质谱、核磁共振光谱)。该化合物和相应的铜配合物显示出形成中间相，可能与向列顺序有关。电子自旋共振 (ESR) 研究表明分子在溶液中具有高度各向异性的旋转；在中间相，观察到分子内反铁磁和分子间铁磁耦合

  DOI：

  10.1021/ja00038a005