4-methyl-N-[4-[2-[4-(4-methyl-N-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline | 199868-62-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-methyl-N-[4-[2-[4-(4-methyl-N-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
• CAS: 199868-62-7
• 化学式: C₆₃H₅₅N₃
• 分子量: 854.15
• InChiKey: GHRDCJMZTUKUOM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18
• 重原子数：
  66
• 可旋转键数：
  13
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  9.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-methyl-N-[4-[2-[4-(4-methyl-N-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline 在 碘 、 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 8.0h， 生成 4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
  参考文献：
  名称：

  Synthesis and properties of novel hole-transporting materials with triphenylamine units

  摘要：

  Two novel organic hole-transporting materials have been synthesized by combination of triphenylamines (TPA) via pi-conjugated bonds using Wittig reaction. The structures were characterized by NMR, FT-IR and HRMS. The optical, electrochemical and thermal properties of the materials were studied in detail. The results show that these two compounds have blue emission, proper HOMO levels and high thermal stability. Furthermore, a quantum chemical calculation on electron distribution of the two compounds was performed, which suggests the current synthesized materials would be promising candidates for hole-transporting materials. (C) 2011 Shi Rong Wang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2011.11.018
• 作为产物：
  描述：

  4-甲基三苯胺 在 potassium tert-butylate 、 三氯氧磷 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 生成 4-methyl-N-[4-[2-[4-(4-methyl-N-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
  参考文献：
  名称：

  Synthesis and properties of novel hole-transporting materials with triphenylamine units

  摘要：

  Two novel organic hole-transporting materials have been synthesized by combination of triphenylamines (TPA) via pi-conjugated bonds using Wittig reaction. The structures were characterized by NMR, FT-IR and HRMS. The optical, electrochemical and thermal properties of the materials were studied in detail. The results show that these two compounds have blue emission, proper HOMO levels and high thermal stability. Furthermore, a quantum chemical calculation on electron distribution of the two compounds was performed, which suggests the current synthesized materials would be promising candidates for hole-transporting materials. (C) 2011 Shi Rong Wang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2011.11.018

文献信息

• Synthesis and properties of novel hole-transporting materials with triphenylamine units
  作者：Wen Zheng Gao、Xiang Gao Li、Shi Rong Wang、Hai Jun Lv

  DOI：10.1016/j.cclet.2011.11.018

  日期：2012.2

  Two novel organic hole-transporting materials have been synthesized by combination of triphenylamines (TPA) via pi-conjugated bonds using Wittig reaction. The structures were characterized by NMR, FT-IR and HRMS. The optical, electrochemical and thermal properties of the materials were studied in detail. The results show that these two compounds have blue emission, proper HOMO levels and high thermal stability. Furthermore, a quantum chemical calculation on electron distribution of the two compounds was performed, which suggests the current synthesized materials would be promising candidates for hole-transporting materials. (C) 2011 Shi Rong Wang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.