9-(3,5-bis(3-(4-tert-butylphenyl)quinoxalin-2-yl)phenyl)-9H-carbazole | 1351526-11-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 9-(3,5-bis(3-(4-tert-butylphenyl)quinoxalin-2-yl)phenyl)-9H-carbazole
• 英文别名: 9-[3,5-Bis[3-(4-tert-butylphenyl)quinoxalin-2-yl]phenyl]carbazole；9-[3,5-bis[3-(4-tert-butylphenyl)quinoxalin-2-yl]phenyl]carbazole
• CAS: 1351526-11-8
• 化学式: C₅₄H₄₅N₅
• 分子量: 763.985
• InChiKey: QPBKQAWXCCZPJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.6
• 重原子数：
  59
• 可旋转键数：
  7
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  56.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-(4-tert-butylphenyl)-2-trimethylsilylethyne 在 甲醇 、 bis-triphenylphosphine-palladium(II) chloride 、 potassium permanganate 、 copper(l) iodide 、 一水合硫酸镁 、 碳酸氢钠 、 potassium carbonate 、 对甲苯磺酸 、 三乙胺 作用下， 以 二氯甲烷 、 氯仿 、 水 、 丙酮 、 甲苯 为溶剂， 反应 31.0h， 生成 9-(3,5-bis(3-(4-tert-butylphenyl)quinoxalin-2-yl)phenyl)-9H-carbazole
  参考文献：
  名称：

  Synthesis of novel twisted carbazole–quinoxaline derivatives with 1,3,5-benzene core: bipolar molecules as hosts for phosphorescent OLEDs

  摘要：

  A series of carbazole/quinoxaline hybrids have been synthesized by classic Ullmann and Pd/Cu-catalyzed Sonogashira coupling reaction. Their photophysical, thermal, and electrochemical properties were investigated. The introduction of electron rich carbazole and electron deficient quinoxaline on to the 1,3,5-benzene center leads to twisted structure with good glass forming property and imparts bipolar character. The triplet energies in the range of 2.34-2.53 eV indicate them as potential host materials in phosphorescent OLEDs. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.10.074

文献信息

• Synthesis of novel twisted carbazole–quinoxaline derivatives with 1,3,5-benzene core: bipolar molecules as hosts for phosphorescent OLEDs
  作者：M. Ananth Reddy、Anup Thomas、G. Mallesham、B. Sridhar、V. Jayathirtha Rao、K. Bhanuprakash

  DOI：10.1016/j.tetlet.2011.10.074

  日期：2011.12

  A series of carbazole/quinoxaline hybrids have been synthesized by classic Ullmann and Pd/Cu-catalyzed Sonogashira coupling reaction. Their photophysical, thermal, and electrochemical properties were investigated. The introduction of electron rich carbazole and electron deficient quinoxaline on to the 1,3,5-benzene center leads to twisted structure with good glass forming property and imparts bipolar character. The triplet energies in the range of 2.34-2.53 eV indicate them as potential host materials in phosphorescent OLEDs. (C) 2011 Elsevier Ltd. All rights reserved.