5-(3-(9H-[3,9'-bicarbazol]-9-yl)phenyl)-3-phenyl-1,2,4-oxadiazole | 1572343-37-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 5-(3-(9H-[3,9'-bicarbazol]-9-yl)phenyl)-3-phenyl-1,2,4-oxadiazole
• 英文别名: 5-[3-(3-Carbazol-9-ylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole；5-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole
• CAS: 1572343-37-3
• 化学式: C₃₈H₂₄N₄O
• 分子量: 552.635
• InChiKey: BFKROFYACVJJKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.6
• 重原子数：
  43
• 可旋转键数：
  4
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  48.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  间溴苯甲酸 在 2-双环己基膦-2',6'-二甲氧基联苯 、 tris-(dibenzylideneacetone)dipalladium(0) 、 氯化亚砜 、 sodium t-butanolate 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 、 N,N-二甲基甲酰胺 为溶剂， 反应 52.0h， 生成 5-(3-(9H-[3,9'-bicarbazol]-9-yl)phenyl)-3-phenyl-1,2,4-oxadiazole
  参考文献：
  名称：

  Asymmetric Design of Bipolar Host Materials with Novel 1,2,4-Oxadiazole Unit in Blue Phosphorescent Device

  摘要：

  The intrinsic asymmetry of 1,2,4-oxadiazole was utilized to synthesize three isomers, DCzmOXD-1, DCzmOXD-2, and mCzmOXD, and high triplet energies over 2.80 eV made them good candidates for host materials in blue OLEDs. The best efficiencies of 23.0 cd A(-1)/20.5 lm W1-/11.2% in CE/PE/EQE were achieved by DCzmOXD-1 with derivation at the beta-carbon position of 1,2,4-oxadiazole.

  DOI：

  10.1021/ol5002494

文献信息

• Asymmetric Design of Bipolar Host Materials with Novel 1,2,4-Oxadiazole Unit in Blue Phosphorescent Device
  作者：Qian Li、Lin-Song Cui、Cheng Zhong、Zuo-Quan Jiang、Liang-Sheng Liao

  DOI：10.1021/ol5002494

  日期：2014.3.21

  The intrinsic asymmetry of 1,2,4-oxadiazole was utilized to synthesize three isomers, DCzmOXD-1, DCzmOXD-2, and mCzmOXD, and high triplet energies over 2.80 eV made them good candidates for host materials in blue OLEDs. The best efficiencies of 23.0 cd A(-1)/20.5 lm W1-/11.2% in CE/PE/EQE were achieved by DCzmOXD-1 with derivation at the beta-carbon position of 1,2,4-oxadiazole.