4,4'-di(anthracen-9-yl)-2,2'-bis[5-phenyl-(1,3,4)-oxadiazol-2-yl]biphenyl

• 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: 4,4'-di(anthracen-9-yl)-2,2'-bis[5-phenyl-(1,3,4)-oxadiazol-2-yl]biphenyl
• 英文别名: 2-[5-Anthracen-9-yl-2-[4-anthracen-9-yl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole；2-[5-anthracen-9-yl-2-[4-anthracen-9-yl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
• 化学式: C₅₆H₃₄N₄O₂
• 分子量: 794.912
• InChiKey: ROAGRGXXEFOBQW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.1
• 重原子数：
  62
• 可旋转键数：
  7
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  77.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,2'-联苯二甲酸 在 palladium on activated charcoal 、 四(三苯基膦)钯 盐酸 、 硫酸 、 硝酸 、 ammonium formate 、 sodium carbonate 、 肼 、 sodium nitrite 、 三氯氧磷 作用下， 以 N-甲基吡咯烷酮 、 乙醇 、 水 、 N,N-二甲基甲酰胺 、 甲苯 、 乙腈 为溶剂， 反应 54.5h， 生成 4,4'-di(anthracen-9-yl)-2,2'-bis[5-phenyl-(1,3,4)-oxadiazol-2-yl]biphenyl
  参考文献：
  名称：

  The Unusual Electrochemical and Photophysical Behavior of 2,2‘-Bis(1,3,4-oxadiazol-2-yl)biphenyls, Effective Electron Transport Hosts for Phosphorescent Organic Light Emitting Diodes

  摘要：

  The fluorescence and phosphorescence of 2,2'-bis(5-phenyl-1,3,4-oxadiazol-2-yl)biphenyl shows good spectral matching with the absorption spectra of the MLCT1 and MLCT3 transitions of Ir(ppy)(3). The red-shift of the 0-0 band in the phosphorescence at 77 K is due to the intramolecular pi-pi interactions between the oxadiazole side chains. Maximum brightness of 43 000 cd/m(2) with an efficiency of 26 cd/A at 200 cd/m(2) was achieved when BOBP was used as the host material for Ir(ppy)(3) in the PHOLED study.

  DOI：

  10.1021/ol062668+

文献信息

• The Unusual Electrochemical and Photophysical Behavior of 2,2‘-Bis(1,3,4-oxadiazol-2-yl)biphenyls, Effective Electron Transport Hosts for Phosphorescent Organic Light Emitting Diodes
  作者：Man-kit Leung、Chih-Chiang Yang、Jiun-Haw Lee、Hsin-Hung Tsai、Chi-Feng Lin、Chih-Yen Huang、Yuhlong Oliver Su、Chi-Feng Chiu

  DOI：10.1021/ol062668+

  日期：2007.1.1

  The fluorescence and phosphorescence of 2,2'-bis(5-phenyl-1,3,4-oxadiazol-2-yl)biphenyl shows good spectral matching with the absorption spectra of the MLCT1 and MLCT3 transitions of Ir(ppy)(3). The red-shift of the 0-0 band in the phosphorescence at 77 K is due to the intramolecular pi-pi interactions between the oxadiazole side chains. Maximum brightness of 43 000 cd/m(2) with an efficiency of 26 cd/A at 200 cd/m(2) was achieved when BOBP was used as the host material for Ir(ppy)(3) in the PHOLED study.