5,12-didecylperyleno[2,1,12-defg:8,7,6-d'e'f'g']diisochromene-1,3,8,10-tetraone | 209111-93-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 5,12-didecylperyleno[2,1,12-defg:8,7,6-d'e'f'g']diisochromene-1,3,8,10-tetraone
• CAS: 209111-93-3
• 化学式: C₄₈H₄₈O₆
• 分子量: 720.906
• InChiKey: LGRVSFMTJXSSKP-UHFFFAOYSA-N

物化性质

• 密度：
  1.285±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  12.09
• 重原子数：
  54.0
• 可旋转键数：
  18.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  94.56
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  5,12-didecylperyleno[2,1,12-defg:8,7,6-d'e'f'g']diisochromene-1,3,8,10-tetraone 在 喹啉 、 copper(I) oxide 、 铜 作用下， 生成
  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-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