5,12-Di-dodec-1-ynyl-2,9-dioctyl-anthra[2,1,9-def;6,5,10-d'e'f']diisoquinoline-1,3,8,10-tetraone | 209111-73-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 5,12-Di-dodec-1-ynyl-2,9-dioctyl-anthra[2,1,9-def;6,5,10-d'e'f']diisoquinoline-1,3,8,10-tetraone
• 英文别名: 11,22-Bis(dodec-1-ynyl)-7,18-dioctyl-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
• CAS: 209111-73-9
• 化学式: C₆₄H₈₂N₂O₄
• 分子量: 943.366
• InChiKey: CAPTVAXERKVTKT-UHFFFAOYSA-N

物化性质

• 沸点：
  982.180±65.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  1.135±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  21.6
• 重原子数：
  70
• 可旋转键数：
  32
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  74.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5,12-Di-dodec-1-ynyl-2,9-dioctyl-anthra[2,1,9-def;6,5,10-d'e'f']diisoquinoline-1,3,8,10-tetraone 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 甲苯 为溶剂， 反应 12.0h， 生成 N,N-di(n-octyl)-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
• 作为产物：
  描述：

  辛胺 在 copper(l) iodide 、 四(三苯基膦)钯 溶剂黄146 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 22.0h， 生成 5,12-Di-dodec-1-ynyl-2,9-dioctyl-anthra[2,1,9-def;6,5,10-d'e'f']diisoquinoline-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