6,11,20,25,34,39-Hexakis[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaene | 1173658-25-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 6,11,20,25,34,39-Hexakis[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaene
• CAS: 1173658-25-7
• 化学式: C₁₂₀H₁₂₆O₂₄
• 分子量: 1952.31
• InChiKey: IEGFSDRDOBRTFL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.7
• 重原子数：
  144
• 可旋转键数：
  66
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  222
• 氢给体数：
  0
• 氢受体数：
  24

反应信息

• 作为产物：
  描述：

  1,2,3,4,5,6-Hexakis[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]phenyl]benzene 在 iron(III) chloride 作用下， 以 硝基甲烷 、 二氯甲烷 为溶剂， 反应 5.0h， 以95%的产率得到6,11,20,25,34,39-Hexakis[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaene
  参考文献：
  名称：

  Ionic Conduction in Poly(ethylene glycol)-Functionalized Hexa-peri-hexabenzocoronene Amphiphiles

  摘要：

  Discotic liquid crystals based on hexa-peri-hexabenzocoronenes (HBCs) symmetrically substituted with six poly(ethylene glycol) (PEG) chains and further doped with LiCF3SO3 (LiTf) salt at different [EG]:[Li+] ratios nanophaseseparate in domains composed from HBC columns and PEG chains. These model amphiphiles behave as viscoelastic solids with a shear modulus of 5 X 10(6) Pa and an ionic conductivity of 10(-5) S/cm at 373 K. At temperatures below 333 K an ionic superstructure is formed of higher shear modulus (108 Pa) that surrounds the HBC columns and follows the disks in their rotational motion. However, the ionic superstructure impedes ion transport. Substituting the HBC core with two PEG chains breaks the symmetry of the ionic superstructure and increases ionic conductivity by an order of magnitude while retaining a high shear modulus and a viscoelastic response. These findings demonstrate that PEG-functionalized HBCs have great potential as new electrolytes because they combine ionic conductivity with mechanical stability. Moreover, when combined with electronic conduction within the HBC columns, this design can result in structures that exhibit simultaneous electronic and ionic transport.

  DOI：

  10.1021/acs.macromol.7b00224

文献信息

• Semi-fused hexaphenyl hexa-peri-hexabenzocoronene: a novel fluorophore from an intramolecular Scholl reaction
  作者：Yunyi Lu、Jeffrey S. Moore

  DOI：10.1016/j.tetlet.2009.04.103

  日期：2009.7

  A semi-fused hexaphenyl hexabenzocoronene derivative (hexaphenyl-1/2HBC) was discovered and isolated from an intramolecular Scholl reaction of an oligo(ethyleneglycol) substituted hexabiphenylbenzene. This new derivative exhibits blue-shifted lambda(em) and significantly enhanced fluorescence in dichloromethane compared to the completely cyclized hexaphenyl-HBC derivative. (C) 2009 Elsevier Ltd. All rights reserved.