2,5-bis(4-(triphenylsilyl)phenyl)-1,3,4-oxadiazole | 950833-37-1

• 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: 2,5-bis(4-(triphenylsilyl)phenyl)-1,3,4-oxadiazole
• 英文别名: Triphenyl-[4-[5-(4-triphenylsilylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]silane；triphenyl-[4-[5-(4-triphenylsilylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]silane
• CAS: 950833-37-1
• 化学式: C₅₀H₃₈N₂OSi₂
• 分子量: 739.036
• InChiKey: QKEYHCLRMYFQML-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.16
• 重原子数：
  55
• 可旋转键数：
  10
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  38.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-triphenylsilanylbenzoyl chloride 在 碳酸氢钠 、 一水合肼 、 三乙胺 、 对甲苯磺酰氯 作用下， 以 N-甲基吡咯烷酮 、 二氯甲烷 为溶剂， 反应 7.0h， 生成 2,5-bis(4-(triphenylsilyl)phenyl)-1,3,4-oxadiazole
  参考文献：
  名称：

  1,3,4-Oxadiazole Containing Silanes as Novel Hosts for Blue Phosphorescent Organic Light Emitting Diodes

  摘要：

  Five rigid oxadiazole (OXD) containing silanes, denoted 1-5, have been developed with high morphological stability. Disruption of the pi-aromatic conjugation by introduction of Si atoms leads to a large band gap and high triplet energy. Among the OXDs we studied, 2,5-bis(triphenylsilylphenyl)-1,3,4-oxadiazole 5 is the best host for Flrpic, with a phosphorescent organic light emitting diode (PHOLED) turn-on voltage of 6.9 V, maximum luminance of 5124 cd/m(2), current efficiency of 39.9 cd/A, and external quantum efficiency of 13.1%. Special molecular stacking in the single crystal of 5 was discussed.

  DOI：

  10.1021/ol301734a

文献信息

• 1,3,4-Oxadiazole Containing Silanes as Novel Hosts for Blue Phosphorescent Organic Light Emitting Diodes
  作者：Man-kit Leung、Wan-Hsi Yang、Ching-Nan Chuang、Jiun-Haw Lee、Chi-Feng Lin、Mao-Kuo Wei、Yu-Hao Liu

  DOI：10.1021/ol301734a

  日期：2012.10.5

  Five rigid oxadiazole (OXD) containing silanes, denoted 1-5, have been developed with high morphological stability. Disruption of the pi-aromatic conjugation by introduction of Si atoms leads to a large band gap and high triplet energy. Among the OXDs we studied, 2,5-bis(triphenylsilylphenyl)-1,3,4-oxadiazole 5 is the best host for Flrpic, with a phosphorescent organic light emitting diode (PHOLED) turn-on voltage of 6.9 V, maximum luminance of 5124 cd/m(2), current efficiency of 39.9 cd/A, and external quantum efficiency of 13.1%. Special molecular stacking in the single crystal of 5 was discussed.