2-tert-butyl-9,10-bis{4-[3,6-di-tert-butyl-(9-carbazolyl)]phenyl}anthracene | 1386243-62-4

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物 - 芳基萘木脂素
• 英文名称: 2-tert-butyl-9,10-bis{4-[3,6-di-tert-butyl-(9-carbazolyl)]phenyl}anthracene
• 英文别名: 3,6-Ditert-butyl-9-[4-[2-tert-butyl-10-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole；3,6-ditert-butyl-9-[4-[2-tert-butyl-10-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole
• CAS: 1386243-62-4
• 化学式: C₇₀H₇₂N₂
• 分子量: 941.355
• InChiKey: SDYRIJOMNHDOKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  22.2
• 重原子数：
  72
• 可旋转键数：
  9
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  9.9
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  3,6-二叔丁基咔唑 在 正丁基锂 、 18-冠醚-6 、 铜 、 potassium carbonate 作用下， 以 四氢呋喃 、 正己烷 、 邻二氯苯 为溶剂， 反应 6.0h， 生成 2-tert-butyl-9,10-bis{4-[3,6-di-tert-butyl-(9-carbazolyl)]phenyl}anthracene
  参考文献：
  名称：

  Efficient non-doped blue light emitting diodes based on novel carbazole-substituted anthracene derivatives

  摘要：

  In this study, we synthesized three anthracene derivatives featuring carbazole moieties as side groups -2-tert-butyl-9,10-bis[4-(9-carbazolyl)phenyl]anthracene (Cz(9)PhAnt), 2-tert-butyl-9,10-bis{4-[3,6-di-tert-butyl-(9-carbazolyl)]phenyl}anthracene (tCz(9)PhAnt), and 2-tert-butyl-9,10-bis{4'-[3,6-di-tert-butyl-(9-carbazolyl)]biphenyl-4-yl}anthracene (tCz(9)Ph(2) Ant) - for use in blue organic light emitting devices (OLEDs). The anthracene derivatives presenting rigid and bulky tert-butyl-substituted carbazole units possessed high glass-transition temperatures (220 degrees C). Moreover, the three anthracene derivatives exhibited strong blue emissions in solution, with high quantum efficiencies (91%). We studied the electroluminescence (EL) properties of non-doped OLEDs incorporating these anthracene derivatives, with and without a hole-transporting layer (HTL). OLEDs incorporating an HTL provided superior EL performance than did those lacking the HTL. The highest brightness (6821 cd/m(2)) was that for the tCz(9)PhAnt-based device; the greatest current efficiency (2.1 cd/A) was that for the tCz(9)Ph(2)Ant-based device. The devices based on these carbazole-substituted anthracene derivatives also exhibited high color purity. (C) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.orgel.2011.10.004