6,11,22,27-Tetrakis[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-16,17-bis[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]phenyl]octacyclo[16.12.0.02,15.03,8.04,29.09,14.019,24.025,30]triaconta-1(18),2(15),3(8),4,6,9(14),10,12,16,19(24),20,22,25(30),26,28-pentadecaene | 944727-08-6

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物 - 芳基萘木脂素
• 英文名称: 6,11,22,27-Tetrakis[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-16,17-bis[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]phenyl]octacyclo[16.12.0.02,15.03,8.04,29.09,14.019,24.025,30]triaconta-1(18),2(15),3(8),4,6,9(14),10,12,16,19(24),20,22,25(30),26,28-pentadecaene
• CAS: 944727-08-6
• 化学式: C₁₂₀H₁₃₂O₂₄
• 分子量: 1958.35
• InChiKey: ZDICONKAUOGTOA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.3
• 重原子数：
  144
• 可旋转键数：
  68
• 环数：
  16.0
• 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 1.17h， 以17%的产率得到6,11,22,27-Tetrakis[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-16,17-bis[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]phenyl]octacyclo[16.12.0.02,15.03,8.04,29.09,14.019,24.025,30]triaconta-1(18),2(15),3(8),4,6,9(14),10,12,16,19(24),20,22,25(30),26,28-pentadecaene
  参考文献：
  名称：

  Semi-fused hexaphenyl hexa-peri-hexabenzocoronene: a novel fluorophore from an intramolecular Scholl reaction

  摘要：

  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.

  DOI：

  10.1016/j.tetlet.2009.04.103