2,7-dibromo-12-(2-thiophenyl)-5,5',10,10',15,15'-hexaethyltruxene | 1401570-52-2

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: 2,7-dibromo-12-(2-thiophenyl)-5,5',10,10',15,15'-hexaethyltruxene
• CAS: 1401570-52-2
• 化学式: C₄₃H₄₂Br₂S
• 分子量: 750.68
• InChiKey: WWQTUGAUMFAEKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.2
• 重原子数：
  46.0
• 可旋转键数：
  7.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  5,5',10,10',15,15'-hexaethyltruxene 在 四(三苯基膦)钯 、 溴 、 potassium carbonate 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 反应 20.0h， 生成 2,7-dibromo-12-(2-thiophenyl)-5,5',10,10',15,15'-hexaethyltruxene 、 2-dibromo-7,12-di(2-thiophenyl)-5,5',10,10',15,15'-hexaethyltruxene 、 2,7,12-tri(2-thiophenyl)-5,5',10,10',15,15'-hexaethyltruxene
  参考文献：
  名称：

  Symmetrical and asymmetrical (multi)branched truxene compounds: Structure and photophysical properties

  摘要：

  A series of symmetrical and asymmetrical (multi)branched truxene derivatives have been synthesized by incorporating different pi-conjugated functional groups to truxene. Linear absorption and single- and two-photon excited fluorescence properties of the obtained compounds were examined. The spectral data combining the results of theoretical calculation and the X-ray crystal structures demonstrate that the intramolecular charge transfer of the C-3-symmetric truxene-core compounds keep independence of every branch and shifts site-to-site upon excitation. The asymmetric molecule SN behaves the intramolecular excitation transfer between more than two energy levels, which maybe different from the symmetric ones. Meanwhile, the C-3-symmetric octupolar conformation and the C(sp(2)) = C(sp(2)) pi-linker are effective structural pattern for two-photon absorption compounds. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2012.04.008