3-(diphenylphosphoryl)-9-(3-(diphenylphosphoryl)phenyl)-9H-carbazole | 1345415-03-3

• 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: 3-(diphenylphosphoryl)-9-(3-(diphenylphosphoryl)phenyl)-9H-carbazole
• 英文别名: PPO25；3-Diphenylphosphoryl-9-(3-diphenylphosphorylphenyl)carbazole；3-diphenylphosphoryl-9-(3-diphenylphosphorylphenyl)carbazole
• CAS: 1345415-03-3
• 化学式: C₄₂H₃₁NO₂P₂
• 分子量: 643.661
• InChiKey: XLRXKLWJDWXHKS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.3
• 重原子数：
  47
• 可旋转键数：
  7
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  39.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  9-(3-溴苯基)-9H-咔唑 在 N-溴代丁二酰亚胺(NBS) 、 正丁基锂 、 双氧水 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 3-(diphenylphosphoryl)-9-(3-(diphenylphosphoryl)phenyl)-9H-carbazole
  参考文献：
  名称：

  Structure–property relationship in high triplet energy host materials with a phenylcarbazole core and diphenylphosphine oxide substituent

  摘要：

  A series of high triplet energy host materials with a carbazole core and a diphenylphosphine oxide substituent were synthesized and the effect of the substitution position on the photophysical properties and device performances of the host material was investigated. The substitution position of the diphenylphosphine oxide on the phenyl ring was changed and the substitution at ortho position of the phenyl ring induced the intramolecular charge transfer complex formation. The intramolecular charge transfer complex formation in the ortho substituted compound improved the current density. A maximum quantum efficiency of 20.4% was obtained in the phenylcarbazole host material with the phosphine oxide at para position of the phenyl group and the efficiency was degraded in the ortho substituted host. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.orgel.2011.03.015

文献信息

• Structure–property relationship in high triplet energy host materials with a phenylcarbazole core and diphenylphosphine oxide substituent
  作者：Hyo Suk Son、Jun Yeob Lee

  DOI：10.1016/j.orgel.2011.03.015

  日期：2011.6

  A series of high triplet energy host materials with a carbazole core and a diphenylphosphine oxide substituent were synthesized and the effect of the substitution position on the photophysical properties and device performances of the host material was investigated. The substitution position of the diphenylphosphine oxide on the phenyl ring was changed and the substitution at ortho position of the phenyl ring induced the intramolecular charge transfer complex formation. The intramolecular charge transfer complex formation in the ortho substituted compound improved the current density. A maximum quantum efficiency of 20.4% was obtained in the phenylcarbazole host material with the phosphine oxide at para position of the phenyl group and the efficiency was degraded in the ortho substituted host. (C) 2011 Elsevier B.V. All rights reserved.