2-[4-(2,4,6-Trimethylphenyl)phenyl]-5-[4-[2,4,6-trimethyl-3-[2,4,6-trimethyl-3-[4-[5-[4-(2,4,6-trimethylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole | 1393600-93-5

• 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-[4-(2,4,6-Trimethylphenyl)phenyl]-5-[4-[2,4,6-trimethyl-3-[2,4,6-trimethyl-3-[4-[5-[4-(2,4,6-trimethylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole
• 英文别名: 2-[4-(2,4,6-trimethylphenyl)phenyl]-5-[4-[2,4,6-trimethyl-3-[2,4,6-trimethyl-3-[4-[5-[4-(2,4,6-trimethylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole
• CAS: 1393600-93-5
• 化学式: C₆₄H₅₈N₄O₂
• 分子量: 915.19
• InChiKey: MKZGDSRAELGLFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.7
• 重原子数：
  70
• 可旋转键数：
  9
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.19
• 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′,4′,6′-trimethyl-[1,1′-biphenyl]-4-carbonitrile 在 吡啶 、 sodium azide 、 氯化铵 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 29.0h， 生成 2-[4-(2,4,6-Trimethylphenyl)phenyl]-5-[4-[2,4,6-trimethyl-3-[2,4,6-trimethyl-3-[4-[5-[4-(2,4,6-trimethylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole
  参考文献：
  名称：

  Twisted bimesitylene-based oxadiazoles as novel host materials for phosphorescent OLEDs

  摘要：

  The D-2d-symmetric bimesitylene core has been exploited for designing novel host materials required in the construction of phosphorescence-based organic light emitting devices. The oxadiazole-functionalized twisted bimesitylenes are found to exhibit high band gap (triplet energies), and excellent glass transition temperatures and thermal stabilities for ready exploitation as host materials. The electron-transporting ability and respectable luminance efficiencies with triplet dopants (up to 19.0 cd/A) allow oxadiazole-functionalized bimesitylenes as promising materials for phosphorescence-based light emitting devices, namely PHOLEDs. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.05.101

文献信息

• Twisted bimesitylene-based oxadiazoles as novel host materials for phosphorescent OLEDs
  作者：Parthasarathy Venkatakrishnan、Palani Natarajan、Jarugu Narasimha Moorthy、Zhenghuan Lin、Tahsin J. Chow

  DOI：10.1016/j.tet.2012.05.101

  日期：2012.9

  The D-2d-symmetric bimesitylene core has been exploited for designing novel host materials required in the construction of phosphorescence-based organic light emitting devices. The oxadiazole-functionalized twisted bimesitylenes are found to exhibit high band gap (triplet energies), and excellent glass transition temperatures and thermal stabilities for ready exploitation as host materials. The electron-transporting ability and respectable luminance efficiencies with triplet dopants (up to 19.0 cd/A) allow oxadiazole-functionalized bimesitylenes as promising materials for phosphorescence-based light emitting devices, namely PHOLEDs. (C) 2012 Elsevier Ltd. All rights reserved.