N,N'-dicyclohexyl-5,11-didecylcoronene-2,3:8,9-tetracarboxydiimide | 209111-83-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: N,N'-dicyclohexyl-5,11-didecylcoronene-2,3:8,9-tetracarboxydiimide
• 英文别名: 8,19-dicyclohexyl-13,24-didecyl-8,19-diazanonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-1(29),2,4,6(30),10,12,14,16,21,23,25,27-dodecaene-7,9,18,20-tetrone
• CAS: 209111-83-1
• 化学式: C₆₀H₇₀N₂O₄
• 分子量: 883.227
• InChiKey: ADERZPSNTGCBGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.52
• 重原子数：
  66.0
• 可旋转键数：
  20.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  78.14
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  N,N'-dicyclohexyl-5,11-didecylcoronene-2,3:8,9-tetracarboxydiimide 在 氢氧化钾 、 水 作用下， 以 叔丁醇 为溶剂， 反应 4.0h， 以90%的产率得到5,12-didecylperyleno[2,1,12-defg:8,7,6-d'e'f'g']diisochromene-1,3,8,10-tetraone
  参考文献：
  名称：

  Liquid Crystalline Coronene Derivatives with Extraordinary Fluorescence Properties

  摘要：

  Tempering of polystyrene films containing the novel liquid crystalline coronenebis(dicarboximide)s 2, which are formed by an easy route from perylene-3,4;9,10-tetracarboxylic dianhydride (1), leads to a shift of the emission within a few seconds. This could be used for dot-by-dot coloring and thus optical displays. The photoluminescence properties of 2 in the solid matrix are dependent on the nature of the aggregates formed.

  DOI：

  10.1002/(sici)1521-3773(19980605)37:10<1434::aid-anie1434>3.0.co;2-p
• 作为产物：
  描述：

  N,N'-dicyclohexyl-1,7-dibromoperylene-3,4:9,10-tetracarboxylic dianhydride 在 copper(l) iodide 、 四(三苯基膦)钯 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 三乙胺 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 26.0h， 生成 N,N'-dicyclohexyl-5,11-didecylcoronene-2,3:8,9-tetracarboxydiimide
  参考文献：
  名称：

  Liquid Crystalline Coronene Derivatives with Extraordinary Fluorescence Properties

  摘要：

  Tempering of polystyrene films containing the novel liquid crystalline coronenebis(dicarboximide)s 2, which are formed by an easy route from perylene-3,4;9,10-tetracarboxylic dianhydride (1), leads to a shift of the emission within a few seconds. This could be used for dot-by-dot coloring and thus optical displays. The photoluminescence properties of 2 in the solid matrix are dependent on the nature of the aggregates formed.

  DOI：

  10.1002/(sici)1521-3773(19980605)37:10<1434::aid-anie1434>3.0.co;2-p

文献信息

• Liquid crystalline coronene derivatives
  作者：Ulrike Rohr、Christopher Kohl、Klaus Müllen、Anick van de Craats、John Warman

  DOI：10.1039/b009708j

  日期：——

  The synthesis of liquid crystalline coronenediimides 9 and coronenemonoimide 10 is described in detail and the mesophases are investigated. A large intracolumnar charge carrier mobility of ca. 0.2 cm2 Vs−1 has been found for the discotic mesophase of the coronenemonoimide 10 using the pulse-radiolysis time-resolved microwave conductivity technique. The large mobility, together with the room temperature liquid crystallinity, make this compound an attractive candidate for applications as the electron transport layer in molecular electronic devices.

  详细描述了液晶晕苯二酰亚胺 9 和晕苯单酰亚胺 10 的合成，并研究了中间相。大约约的大柱内载流子迁移率。使用脉冲辐射分解时间分辨微波电导率技术，发现晕苯酰亚胺 10 的盘状中间相为 0.2 cm2 Vs−1。高迁移率以及室温液晶性使该化合物成为分子电子器件中电子传输层应用的有吸引力的候选者。