4,4,10,10,16,16-Hexafluoro-5,11,17-triphenyl-3,9,15-trioxa-5,11,17-triazonia-4,10,16-triboranuidatetracyclo[12.4.0.02,7.08,13]octadeca-1,5,7,11,13,17-hexaene | 911420-42-3

• 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: 4,4,10,10,16,16-Hexafluoro-5,11,17-triphenyl-3,9,15-trioxa-5,11,17-triazonia-4,10,16-triboranuidatetracyclo[12.4.0.02,7.08,13]octadeca-1,5,7,11,13,17-hexaene
• CAS: 911420-42-3
• 化学式: C₂₇H₁₈B₃F₆N₃O₃
• 分子量: 578.882
• InChiKey: VEUIHTTZOOAVKW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.28
• 重原子数：
  42
• 可旋转键数：
  3
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  36.7
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  2,4,6-tris((phenylamino)methylene)cyclohexane-1,3,5-trione 、 trifluoroborane diethyl ether 在 LiN(CH(CH₃)2)2 作用下， 生成 4,4,10,10,16,16-Hexafluoro-5,11,17-triphenyl-3,9,15-trioxa-5,11,17-triazonia-4,10,16-triboranuidatetracyclo[12.4.0.02,7.08,13]octadeca-1,5,7,11,13,17-hexaene
  参考文献：
  名称：

  Schiff Base Route to Stackable Pseudo-Triphenylenes:  Stereoelectronic Control of Assembly and Luminescence

  摘要：

  Tandem tautomerization-trapping of isomeric mixtures of tris(N-salicylideneamine)s facilitated access to a new class of discotic molecules that are geometrically analogous to 2,6,10-trisubstituted triphenylenes. The shape and electrostatic complementarity associated with the molecular C3 symmetry assists cofacial stacking of pi-faces to afford either infinite one-dimensional columns or discrete dimeric capsules. Structural reinforcement achieved by such interlocked geometry resulted in significant fluorescence enhancement upon aggregation in solution, as determined by dynamic light scattering and fluorescence spectroscopy.

  DOI：

  10.1021/ja061307m

文献信息

• Acid‐Modulated Synthesis of Novel π‐Conjugated Microporous Polymers for Efficient Metal‐Free Photocatalytic Hydrogen Evolution
  作者：Monika M. G. Bai、K. Bramhaiah、Santanu Bhattacharyya、Rajeswara M. Rao

  DOI：10.1002/chem.202202023

  日期：2022.11.2

  boranil-based) CMPs from identical monomers via simple acid modulation (BF3.Et2O and CH3COOH). The polymers display distinctly different optical and electronic properties. Boranil CMP display superior photocatalytic activity producing hydrogen at a superior rate of 252 μmol/g over β-ketoenamine polymer (100 μmol/g).

  我们报告了一种通过简单的酸调制（BF 3 .Et 2 O 和 CH 3 COOH）由相同单体构建两种结构不同（β-酮烯胺和硼腈基）CMP 的方法。聚合物显示出明显不同的光学和电子特性。Boranil CMP 显示出比 β-酮烯胺聚合物 (100 μmol/g) 更高的光催化活性，其产生氢气的速率为 252 μmol/g。