6-Phenyl-5-[4-phenyl-6-(6-phenylindolo[2,3-b]indol-5-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]indole | 1373266-16-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 6-Phenyl-5-[4-phenyl-6-(6-phenylindolo[2,3-b]indol-5-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]indole
• 英文别名: 6-phenyl-5-[4-phenyl-6-(6-phenylindolo[2,3-b]indol-5-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]indole
• CAS: 1373266-16-0
• 化学式: C₄₉H₃₁N₇
• 分子量: 717.832
• InChiKey: FNHGMXHCROTAFN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.6
• 重原子数：
  56
• 可旋转键数：
  5
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  58.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2,4-二氯-6-苯基-1,3,5-三嗪 、 5,6-二氢-5-苯基吲[2,3-B]吲哚 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以88%的产率得到6-Phenyl-5-[4-phenyl-6-(6-phenylindolo[2,3-b]indol-5-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]indole
  参考文献：
  名称：

  NITROGENATED AROMATIC COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC ELECTRONIC DEVICE

  摘要：

  公开号：

  EP2628743B1

文献信息

• ORGANIC ELECTROLUMINESCENCE ELEMENT, DISPLAY DEVICE, ILLUMINATION DEVICE, AND LIGHT-EMITTING COMPOSITION
  申请人：KONICA MINOLTA, INC.

  公开号：US20160372683A1

  公开（公告）日：2016-12-22

  An organic electroluminescent element includes an organic layer including a compound having an electron donor moiety and an electron acceptor moiety in a single molecule. The compound satisfies the following expression: (ΔE H +ΔE L )≧2.0 eV. ΔE H represents a difference in energy level between a highest energy occupied molecular orbital spreading over the electron donor moiety and a highest energy occupied molecular orbital spreading over the electron acceptor moiety, and ΔE L represents a difference in energy level between a lowest energy unoccupied molecular orbital spreading over the electron donor moiety and a lowest energy unoccupied molecular orbital spreading over the electron acceptor moiety, determined by molecular orbital calculation. A highest energy occupied molecular orbital of the compound has an energy level of −5.2 eV or more. A lowest energy unoccupied molecular orbital of the compound has an energy level of −1.2 eV or less.
• US8766249B2
  申请人：——

  公开号：US8766249B2

  公开（公告）日：2014-07-01
• NITROGENATED AROMATIC COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC ELECTRONIC DEVICE
  申请人：Nippon Steel & Sumikin Chemical Co., Ltd.

  公开号：EP2628743B1

  公开（公告）日：2016-02-24