4-[5-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]thiophen-2-yl]-N,N-bis[4-[5-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]thiophen-2-yl]phenyl]aniline | 1349699-58-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-[5-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]thiophen-2-yl]-N,N-bis[4-[5-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]thiophen-2-yl]phenyl]aniline
• CAS: 1349699-58-6
• 化学式: C₅₄H₂₄F₁₅NS₃
• 分子量: 1067.97
• InChiKey: HFAUOADLDHORGN-KXVWNZKWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.6
• 重原子数：
  73
• 可旋转键数：
  12
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  88
• 氢给体数：
  0
• 氢受体数：
  19

反应信息

• 作为产物：
  描述：

  5,5’,5’’-(次氮基三(苯-4,1-二基))三(噻吩-2-甲醛) 、 [(2,3,4,5,6-五氟苯基)亚甲基]三苯基正膦 以 四氢呋喃 为溶剂， 反应 13.0h， 以35%的产率得到4-[5-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]thiophen-2-yl]-N,N-bis[4-[5-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]thiophen-2-yl]phenyl]aniline
  参考文献：
  名称：

  Extended triphenylamine conjugated systems derivatized by perfluorophenyl groups

  摘要：

  Two triphenylamine derivatives bearing terminal perfluorophenyl groups have been synthesized. Their HOMO. LUMO levels and electronic band gap have been evaluated by spectroscopic and electrochemical measurements and rationalized with theoretical calculations. X-ray structure analysis of crystals allowed the observation of multiple intermolecular interactions due to the presence of the perfluorophenyl pendant groups. The multiplication of these interactions explains the differences between calculated (in gas phase) and observed (in solid states) structures. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.09.129

文献信息

• Extended triphenylamine conjugated systems derivatized by perfluorophenyl groups
  作者：Emilie Ripaud、Charlotte Mallet、Magali Allain、Philippe Leriche、Pierre Frère、Jean Roncali

  DOI：10.1016/j.tetlet.2011.09.129

  日期：2011.12

  Two triphenylamine derivatives bearing terminal perfluorophenyl groups have been synthesized. Their HOMO. LUMO levels and electronic band gap have been evaluated by spectroscopic and electrochemical measurements and rationalized with theoretical calculations. X-ray structure analysis of crystals allowed the observation of multiple intermolecular interactions due to the presence of the perfluorophenyl pendant groups. The multiplication of these interactions explains the differences between calculated (in gas phase) and observed (in solid states) structures. (C) 2011 Elsevier Ltd. All rights reserved.