2-(1-(4-tritylphenyl)-1H-imidazol-2-yl)pyridine | 1233084-71-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(1-(4-tritylphenyl)-1H-imidazol-2-yl)pyridine
• 英文别名: tp-pyim；2-[1-(4-Tritylphenyl)imidazol-2-yl]pyridine；2-[1-(4-tritylphenyl)imidazol-2-yl]pyridine
• CAS: 1233084-71-3
• 化学式: C₃₃H₂₅N₃
• 分子量: 463.582
• InChiKey: ZBQLRKMPKCVSBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (4-iodophenyl)triphenylmethane 、 2-(咪唑-2-基)吡啶 在 copper(l) iodide 、 1,10-菲罗啉 、 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 以38%的产率得到2-(1-(4-tritylphenyl)-1H-imidazol-2-yl)pyridine
  参考文献：
  名称：

  Highly Efficient Blue-Green and White Light-Emitting Electrochemical Cells Based on a Cationic Iridium Complex with a Bulky Side Group

  摘要：

  Blue-green-emitting cationic iridium complex with high luminescent efficiencies in both solutions and solid-states are essential for high-performance white light-emitting electrochemical cells (LECs). We report here an efficient blue-green-emitting cationic iridium complex [Ir(dfppz)(2)(tp-pyim)]PF6, using 1-(2,4-difluorophenyl)-1H-pyrazole (dfppz) as the cyclometalated ligand and 2-(1-(4-tritylphenyl)-1H-imidazol-2-yl)pyridine (tp-pyim) as the ancillary ligand. [Ir(dfppz)(2)(tp-pyim)]PF6 emits efficient blue-green light with a luminescent quantum yield of 0.54 in CH3CN solution. Because of the sterically bulky group 4-tritylphenyl that is attached to the ancillary ligand, the intermolecular interaction and excited-state self-quenching of [Ir(dfppz)(2)(tp-pyim)]PF6 in solid states is significantly suppressed. Theoretical calculations reveal that the emission from [Ir(dfppz)(2)(tp-pyim)]PF6 has both metal-to-ligand charge-transfer and ligand-centered (3)pi-pi* character. LECs based on [Ir(dfppz)(2)(tp-pyim)]PF6 show highly efficient blue-green electroluminescence with peak current efficiency, external quantum efficiency, and power efficiency of 18.3 cd A(-1), 7.6%, and 18.01m W-1, respectively. White LECs based on [Ir(dfppz)(2)(tp-pyim)PF6 give warm-white light, with Commission Internationale de L'Eclairage coordinates of (0.37, 0.41), a color-rendering index up to 80, and a peak power efficiency of 11.2 lm W-1.

  DOI：

  10.1021/cm100993j