1,3,5-tris(bromomethyl)-2,4,6-triphenyl benzene | 947508-43-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,3,5-tris(bromomethyl)-2,4,6-triphenyl benzene
• 英文别名: 2',4',6'-tris(bromomethyl)-5'-phenyl-1,1':3',1''-terphenyl；1,3,5-Tris(bromomethyl)-2,4,6-triphenylbenzene
• CAS: 947508-43-2
• 化学式: C₂₇H₂₁Br₃
• 分子量: 585.176
• InChiKey: NNEMJUYEHABKQZ-UHFFFAOYSA-N

物化性质

• 沸点：
  635.5±55.0 °C(Predicted)
• 密度：
  1.565±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1,3,5-tris(bromomethyl)-2,4,6-triphenyl benzene 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 84.67h， 生成 5'-phenyl-2',4',6'-tri((E)-styryl)-1,1':3',1''-terphenyl
  参考文献：
  名称：

  聚集诱导的三苯基取代的三苯乙烯基苯的排放。

  摘要：

  报道了两种区域异构的三苯基三苯乙烯基苯的合成，性质和X射线单晶结构。C3v和Cs衍生物均显示聚集诱导发射（AIE）行为。区域异构会影响固态分子间的相互作用，溶液的光物理特性和光稳定性。

  DOI：

  10.1002/chem.201902272
• 作为产物：
  描述：

  1,3,5-三碘-2,4,6-三甲基苯 在 四(三苯基膦)钯 、 溴 、 碘 、 potassium carbonate 、 溶剂黄146 作用下， 以 乙醇 、 水 、 甲苯 为溶剂， 反应 77.0h， 生成 1,3,5-tris(bromomethyl)-2,4,6-triphenyl benzene
  参考文献：
  名称：

  聚集诱导的三苯基取代的三苯乙烯基苯的排放。

  摘要：

  报道了两种区域异构的三苯基三苯乙烯基苯的合成，性质和X射线单晶结构。C3v和Cs衍生物均显示聚集诱导发射（AIE）行为。区域异构会影响固态分子间的相互作用，溶液的光物理特性和光稳定性。

  DOI：

  10.1002/chem.201902272

文献信息

• Self-assembly of tri-pyrazolate linked cages with di-palladium coordination motifs
  作者：Xuan-Feng Jiang、Wei Deng、Rui Jin、Lin Qin、Shu-Yan Yu

  DOI：10.1039/c4dt01745e

  日期：——

  A series of novel tripyrazolate linked metallomacrocycles and cages possessing different shapes were constructed by dimetal-coordination motifs in aqueous solution.

  一系列具有不同形状的新型三吡唑基联结的金属大环化合物和笼状化合物在水溶液中通过双金属配位基团构建。
• Minimalist Synthetic Host with Stacked Guanidinium Ions Mimics the Weakened Hydration Shells of Protein–protein Interaction Interfaces
  作者：Xing Wang、Joshua Post、Dennis K. Hore、Fraser Hof

  DOI：10.1021/jo401949s

  日期：2014.1.3

  Protein surfaces are complex solutes, and protein-protein interactions are specifically mediated by surface motifs that modulate solvation shells in poorly understood ways. We report herein a supramolecular host that is designed to mimic one of the most important recognition motifs that drives protein-protein interactions, the stacked arginine side chain. We show that it binds its guests and displays good selectivity in the highly competitive medium of pure, buffered water. We use a combination of experimental studies of binding and molecular dynamics simulations to build a cohesive picture of how this biomimetic host achieves the feat. The presence of the stacking element next to the guanidinium groups causes a decrease in the number of host-water hydrogen bonds, a decrease in the density of water around the host, and a decrease in water-water hydrogen bonds near the host. Experimental data using mixed organic/aqueous solvent systems confirm that this host relies on the hydrophobic effect in a way that the two control hosts do not. Our simulations and analysis provide detailed information on the linkage between (de)hydration and binding events in water in a way that could be applied to many aqueous supramolecular systems.
• Organic electroluminescent device
  申请人：Sano Satoshi

  公开号：US20070202358A1

  公开（公告）日：2007-08-30

  An organic electroluminescent device, which comprises: a pair of electrodes; and an organic compound layer including a light-emitting layer between the pair of electrodes, wherein the organic compound layer comprises a compound represented by formula (I): wherein Z 1 , Z 2 , Z 3 and Z 4 each independently represents an atom selected from the group consisting of carbon, nitrogen, sulfur and oxygen and necessary for forming an unsaturated 6-membered ring skeleton, the atom may have a hydrogen atom or a substituent; a bond in the unsaturated 6-membered ring indicates a single bond or a double bond; and R 1 represents a substituent.
• Aggregation‐Induced Emission of Triphenyl‐Substituted Tristyrylbenzenes
  作者：Hao Zhang、Frank Rominger、Uwe H. F. Bunz、Jan Freudenberg

  DOI：10.1002/chem.201902272

  日期：——

  The synthesis, properties and X-ray single-crystal structures of two regioisomeric triphenyl tristyrylbenzenes are reported. Both C3v and Cs derivatives display aggregation-induced emission (AIE) behavior. Regioisomerism impacts the solid-state intermolecular interactions, the photophysical characteristics and photostability in solution.

  报道了两种区域异构的三苯基三苯乙烯基苯的合成，性质和X射线单晶结构。C3v和Cs衍生物均显示聚集诱导发射（AIE）行为。区域异构会影响固态分子间的相互作用，溶液的光物理特性和光稳定性。