7-bromo-N,N-bis(4-butylphenyl)-9,9-diphenyl-9H-fluoren-2-amine | 1564287-40-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 7-bromo-N,N-bis(4-butylphenyl)-9,9-diphenyl-9H-fluoren-2-amine
• CAS: 1564287-40-6
• 化学式: C₄₅H₄₂BrN
• 分子量: 676.739
• InChiKey: OBWHGAPEYPQSGM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.97
• 重原子数：
  47.0
• 可旋转键数：
  11.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  3.24
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  7-bromo-N,N-bis(4-butylphenyl)-9,9-diphenyl-9H-fluoren-2-amine 在 四(三苯基膦)钯 、 ammonium acetate 、 sodium carbonate 、 溶剂黄146 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 29.0h， 生成 Synthesis of 3-(4-(7-(bis(4-butylphenyl)amino)-9,9-diphenyl-9H-fluoren-2-yl)phenyl)-2-cyanoacrylic acid
  参考文献：
  名称：

  Influence of different substituents linked on fluorene spacer in organic sensitizers on photovoltaic properties

  摘要：

  New metal-free organic sensitizers containing a fluorene unit as a pi-conjugated system, a diphenylamine as an electron donor, and a cyanoacrylic acid moiety as an electron acceptor were synthesized and used for dye-sensitized solar cells. The photophysical and electrochemical properties of these dyes were investigated, and their performances as sensitizers in solar cells were measured. One solar cell containing the n-hexyl group in the fluorene unit produced an eta of 5.15% (J(sc) = 9.69 mA cm(-2), V-oc = 0.77 V, and ff = 0.70) under 100 mW cm(-2) simulated AM 1.5 G solar irradiation (100 mW cm-2). (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2013.12.020
• 作为产物：
  描述：

  bis(4-butylphenyl)amine 、 2,7-二溴-9,9-二苯基芴 在 1,1'-双(二苯基膦)二茂铁 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 、 sodium t-butanolate 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以63%的产率得到7-bromo-N,N-bis(4-butylphenyl)-9,9-diphenyl-9H-fluoren-2-amine
  参考文献：
  名称：

  Influence of different substituents linked on fluorene spacer in organic sensitizers on photovoltaic properties

  摘要：

  New metal-free organic sensitizers containing a fluorene unit as a pi-conjugated system, a diphenylamine as an electron donor, and a cyanoacrylic acid moiety as an electron acceptor were synthesized and used for dye-sensitized solar cells. The photophysical and electrochemical properties of these dyes were investigated, and their performances as sensitizers in solar cells were measured. One solar cell containing the n-hexyl group in the fluorene unit produced an eta of 5.15% (J(sc) = 9.69 mA cm(-2), V-oc = 0.77 V, and ff = 0.70) under 100 mW cm(-2) simulated AM 1.5 G solar irradiation (100 mW cm-2). (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2013.12.020