12-(4,6-Diphenylpyrimidin-2-yl)-24-phenyl-9,12,21,24-tetrazahexacyclo[11.11.0.02,11.03,8.014,23.015,20]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 12-(4,6-Diphenylpyrimidin-2-yl)-24-phenyl-9,12,21,24-tetrazahexacyclo[11.11.0.02,11.03,8.014,23.015,20]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaene
• 英文别名: 12-(4,6-diphenylpyrimidin-2-yl)-24-phenyl-9,12,21,24-tetrazahexacyclo[11.11.0.02,11.03,8.014,23.015,20]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaene
• 化学式: C₄₂H₂₆N₆
• 分子量: 614.7
• InChiKey: LMJPPKXHGTUWDK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.3
• 重原子数：
  48
• 可旋转键数：
  4
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  61.4
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME
  申请人：Samsung Display Co., Ltd

  公开号：US20170256721A1

  公开（公告）日：2017-09-07

  A condensed cyclic compound and an organic light-emitting device including the same are provided. The compound may be represented by the following structure: wherein X 1 is N or C(R 1 ), X 2 is N or C(R 2 ), X 3 is N or C(R 3 ), X 4 is N or C(R 4 ), X 5 is N or C(R 5 ), and X 6 is N or C(R 6 ), and ring A 1 is a C 5 -C 60 carbocyclic group or a C 2 -C 60 heterocyclic group, provided that ring A 1 is not a benzene.

  提供了一种浓缩的环状化合物和包括该化合物的有机发光器件。该化合物可由以下结构表示：其中 X1为N或C（R1），X2为N或C（R2），X3为N或C（R3），X4为N或C（R4），X5为N或C（R5），X6为N或C（R6），环A1为C5-C60碳环或C2-C60杂环，前提是环A1不是苯环。