8,19-Bis[2,6-di(propan-2-yl)phenyl]-14,25-diphenyl-8,13,19,24-tetrazanonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-1,3(12),4(27),5,10,13,15,17(29),21,23(28),24,26(30)-dodecaene-7,9,18,20-tetrone | 1402916-97-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 8,19-Bis[2,6-di(propan-2-yl)phenyl]-14,25-diphenyl-8,13,19,24-tetrazanonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-1,3(12),4(27),5,10,13,15,17(29),21,23(28),24,26(30)-dodecaene-7,9,18,20-tetrone
• 英文别名: 8,19-bis[2,6-di(propan-2-yl)phenyl]-14,25-diphenyl-8,13,19,24-tetrazanonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-1,3(12),4(27),5,10,13,15,17(29),21,23(28),24,26(30)-dodecaene-7,9,18,20-tetrone
• CAS: 1402916-97-5
• 化学式: C₆₂H₄₈N₄O₄
• 分子量: 913.088
• InChiKey: GTWDTAKBVIJVMJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.4
• 重原子数：
  70
• 可旋转键数：
  8
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  11,22-Diamino-7,18-bis[2,6-di(propan-2-yl)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone 、 苯甲醛 在 三氟甲磺酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 8,19-Bis[2,6-di(propan-2-yl)phenyl]-14,25-diphenyl-8,13,19,24-tetrazanonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-1,3(12),4(27),5,10,13,15,17(29),21,23(28),24,26(30)-dodecaene-7,9,18,20-tetrone 、 8,19-Bis[2,6-di(propan-2-yl)phenyl]-14,24-diphenyl-8,13,19,25-tetrazanonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-1(28),2(15),3(12),4,6(30),10,13,16,21(29),22,24,26-dodecaene-7,9,18,20-tetrone
  参考文献：
  名称：

  Integration of nitrogen into coronene bisimides

  摘要：

  N-Decorated PBIs and CBIs have been synthesized by the combination of Pictet-Spengler condensation and subsequent oxidative aromatization based on highly electron-deficient amino-PBIs. A detailed analysis of their photophysical properties and molecular crystals has shown that the lateral aryl groups appended on the N-heterocycle have a negligible effect on their optical absorptions and electrochemical potentials, but the subtle modification leads to significant variations on arrangement in the solid state. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.08.084

文献信息

• Integration of nitrogen into coronene bisimides
  作者：Linxiao Hao、Wei Jiang、Zhaohui Wang

  DOI：10.1016/j.tet.2012.08.084

  日期：2012.11

  N-Decorated PBIs and CBIs have been synthesized by the combination of Pictet-Spengler condensation and subsequent oxidative aromatization based on highly electron-deficient amino-PBIs. A detailed analysis of their photophysical properties and molecular crystals has shown that the lateral aryl groups appended on the N-heterocycle have a negligible effect on their optical absorptions and electrochemical potentials, but the subtle modification leads to significant variations on arrangement in the solid state. (C) 2012 Elsevier Ltd. All rights reserved.