3-(4-(7,12-Bis(4-(diphenylamino)phenyl)benzo[k]fluoran-then-3-yl)phenyl)-2-cyanoacrylic acid | 1411886-40-2

• 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: 3-(4-(7,12-Bis(4-(diphenylamino)phenyl)benzo[k]fluoran-then-3-yl)phenyl)-2-cyanoacrylic acid
• CAS: 1411886-40-2
• 化学式: C₆₆H₄₃N₃O₂
• 分子量: 910.086
• InChiKey: BCWZWVWJERTLFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.57
• 重原子数：
  71.0
• 可旋转键数：
  11.0
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  67.57
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  4,4'-(3-bromobenzo[k]fluoranthene-7,12-diyl)bis(N,N-diphenylaniline) 、 4-甲酰基苯硼酸 在 乙酸铵 、 四(三苯基膦)钯 、 sodium carbonate 、 溶剂黄146 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 24.0h， 生成 3-(4-(7,12-Bis(4-(diphenylamino)phenyl)benzo[k]fluoran-then-3-yl)phenyl)-2-cyanoacrylic acid
  参考文献：
  名称：

  Bistriphenylamine-substituted fluoranthene derivatives as electroluminescent emitters and dye-sensitized solar cells

  摘要：

  A novel series of compounds containing fluoranthene and triphenylamine were designed and synthesized as electroluminescent materials or sensitizers. Photophysical and electrochemical measurements were carried out on these compounds. DPBF exhibited a maximum current efficiency of 1.3 cd/A (1.00 lm/W at 5.17 V) and D2 had the maximum light-to-electricity efficiency of 4.57% under AM 1.5 solar simulator (100 mW cm(-2)). The results suggest that bistriphenylamine-substituted fluoranthene derivatives have the potential application in optoelectronic materials. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.09.013