2,2',2''-(5'-phenyl-m-terphenyl-2',4',6'-triyl)-tris-pyridine | 56679-38-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,2',2''-(5'-phenyl-m-terphenyl-2',4',6'-triyl)-tris-pyridine
• 英文别名: 2-(2,4,6-Triphenyl-3,5-dipyridin-2-ylphenyl)pyridine
• CAS: 56679-38-0
• 化学式: C₃₉H₂₇N₃
• 分子量: 537.663
• InChiKey: NBNHBUMNVSTEAP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.6
• 重原子数：
  42
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• ORGANIC ELECTROLUMINESCENT ELEMENT
  申请人：Pioneer Corporation

  公开号：EP2378584A1

  公开（公告）日：2011-10-19

  [PROBLEM TO BE SOLVED] To provide an organic electroluminescence device with heat resistance capable of being driven by a low voltage. [SOLUTION] An organic electroluminescence device includes a pair of anode and cathode opposed to each other; and a plurality of organic semiconductor layers layered or disposed between the anode and the cathode, the organic semiconductor layers including a light-emitting layer. At least one of the organic semiconductor layers contains a bulky organic semiconductor compound having an aromatic multi-membered ring structure and at least three aromatic substituents bonded thereto. Each of the aromatic substituents is arranged in a manner that a dihedral angle between a ring plane of the aromatic multi-membered ring structure and the ring plane of the aromatic substituent is within 70 to 90° determined by a semiempirical molecular orbital calculation method.

  [有待解决的问题] 提供一种具有耐热性的有机电致发光器件，该器件能够由低电压驱动。 [解决方案] 一种有机电致发光器件包括一对相互对置的阳极和阴极；以及多个分层或布置在阳极和阴极之间的有机半导体层，有机半导体层包括发光层。有机半导体层中至少有一层含有大块有机半导体化合物，该化合物具有芳香族多元环结构和至少三个芳香族取代基。每个芳香族取代基的排列方式是，芳香族多元环结构的环平面与芳香族取代基的环平面之间的二面角在 70 至 90°范围内，该二面角是通过半经验分子轨道计算方法确定的。