4,4'-(1E,1'E)-2,2'-(4,4'-(4-phenylpyridine-2,6-diyl)bis(4,1-phenylene))bis(ethene-2,1-diyl)bis(N,N-diphenylaniline) | 1558837-77-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4,4'-(1E,1'E)-2,2'-(4,4'-(4-phenylpyridine-2,6-diyl)bis(4,1-phenylene))bis(ethene-2,1-diyl)bis(N,N-diphenylaniline)
• 英文别名: N,N-diphenyl-4-[(E)-2-[4-[4-phenyl-6-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]pyridin-2-yl]phenyl]ethenyl]aniline
• CAS: 1558837-77-6
• 化学式: C₆₃H₄₇N₃
• 分子量: 846.086
• InChiKey: VIHMJZICLBAJPR-TUUFZWAFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.36
• 重原子数：
  66.0
• 可旋转键数：
  13.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  19.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  4-phenyl-2,6-di(p-tolyl)pyridine 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 四氢呋喃 、 四氯化碳 为溶剂， 反应 2.0h， 生成 4,4'-(1E,1'E)-2,2'-(4,4'-(4-phenylpyridine-2,6-diyl)bis(4,1-phenylene))bis(ethene-2,1-diyl)bis(N,N-diphenylaniline)
  参考文献：
  名称：

  Spectral studies of multi-branched fluorescence dyes based on triphenylpyridine core

  摘要：

  A series of novel triphenylpyridine-containing triphenylamine derivatives have been carefully designed and prepared in good yields using the stepwise route reactions. The relationship of photoluminescence property and structure of compounds 9-13 was systematically investigated via UV-vis, fluorescence, thermogravimetric and electrochemical analyzer. The highest occupied molecular orbital and the lowest unoccupied molecular orbital distributions of compounds 9-13 were calculated by density functional theory method. The high fluorescence quantum yields, desirable the highest occupied molecular orbital levels and high thermal stability of compounds 9-13 indicate that the linkage of triphenylpyridine and triphenylamine is an efficient means to enhance hole-transporting ability and fluorescent quantum yield. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2013.10.087

文献信息

• Spectral studies of multi-branched fluorescence dyes based on triphenylpyridine core
  作者：Hai-Ying Wang、Liang-Feng Chen、Xiu-Ling Zhu、Chao Wang、Yu Wan、Hui Wu

  DOI：10.1016/j.saa.2013.10.087

  日期：2014.3

  A series of novel triphenylpyridine-containing triphenylamine derivatives have been carefully designed and prepared in good yields using the stepwise route reactions. The relationship of photoluminescence property and structure of compounds 9-13 was systematically investigated via UV-vis, fluorescence, thermogravimetric and electrochemical analyzer. The highest occupied molecular orbital and the lowest unoccupied molecular orbital distributions of compounds 9-13 were calculated by density functional theory method. The high fluorescence quantum yields, desirable the highest occupied molecular orbital levels and high thermal stability of compounds 9-13 indicate that the linkage of triphenylpyridine and triphenylamine is an efficient means to enhance hole-transporting ability and fluorescent quantum yield. (C) 2013 Elsevier B.V. All rights reserved.