4,5,10,11,20-Pentahexoxy-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,19]henicosa-1(21),2,4,6,8,10,12,14,16,19-decaene | 1337993-22-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 4,5,10,11,20-Pentahexoxy-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,19]henicosa-1(21),2,4,6,8,10,12,14,16,19-decaene
• 英文别名: 4,5,10,11,20-pentahexoxy-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,19]henicosa-1(21),2,4,6,8,10,12,14,16,19-decaene
• CAS: 1337993-22-2
• 化学式: C₄₉H₇₂N₂O₅
• 分子量: 769.121
• InChiKey: QFYBYZDCHCMTOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.8
• 重原子数：
  56
• 可旋转键数：
  30
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  74.8
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,3,6,7,10,11-六(己氧基)苯并菲 在 ammonium cerium (IV) nitrate 、 B-溴代邻苯二氧硼烷 、 ammonium acetate 、 溶剂黄146 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 4.55h， 生成 4,5,10,11,20-Pentahexoxy-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,19]henicosa-1(21),2,4,6,8,10,12,14,16,19-decaene
  参考文献：
  名称：

  Novel triphenylenoimidazole discotic liquid crystals

  摘要：

  A novel discotic core was constructed by fusing imidazole unit with well-known triphenylene discotic core. Two new imidazole fused unsymmetrically substituted triphenylene derivatives were prepared and characterized. While the molecular structures of the new compounds were verified by H-1 NMR, UV, MS and elemental analysis, their liquid crystalline properties were determined by polarizing optical microscopy, differential scanning calorimetry and X-ray diffraction studies. These triphenylenoimidazole derivatives were found to exhibit hexagonal columnar mesomorphism over a wide temperature range. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.08.041

文献信息

• Novel triphenylenoimidazole discotic liquid crystals
  作者：Sandeep Kumar、Satyam Kumar Gupta

  DOI：10.1016/j.tetlet.2011.08.041

  日期：2011.10

  A novel discotic core was constructed by fusing imidazole unit with well-known triphenylene discotic core. Two new imidazole fused unsymmetrically substituted triphenylene derivatives were prepared and characterized. While the molecular structures of the new compounds were verified by H-1 NMR, UV, MS and elemental analysis, their liquid crystalline properties were determined by polarizing optical microscopy, differential scanning calorimetry and X-ray diffraction studies. These triphenylenoimidazole derivatives were found to exhibit hexagonal columnar mesomorphism over a wide temperature range. (C) 2011 Elsevier Ltd. All rights reserved.