4,5,10,11,16,17-Hexaoctyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene | 1365543-04-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 4,5,10,11,16,17-Hexaoctyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
• 英文别名: 4,5,10,11,16,17-hexaoctyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
• CAS: 1365543-04-9
• 化学式: C₆₀H₁₀₂N₆
• 分子量: 907.51
• InChiKey: KRGOJZMAKZSNDW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  22.1
• 重原子数：
  66
• 可旋转键数：
  42
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  77.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1,3,5-三氯苯 在 硫酸 、 palladium 10% on activated carbon 、 氨 、 氢气 、 溶剂黄146 、 potassium nitrate 作用下， 以 乙醇 、 水 、 乙酸乙酯 、 甲苯 为溶剂， 40.0~130.0 ℃ 、4.05 MPa 条件下， 反应 90.0h， 生成 4,5,10,11,16,17-Hexaoctyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
  参考文献：
  名称：

  A hexaazatriphenylene-based organogel that responds to silver(I) with high selectivity under aqueous condition

  摘要：

  A hexaazatriphenylene (HAT)-based gelator was developed. It exhibits excellent gelation ability. The resulting organogel shows very high selectivity toward Ag+ ion under aqueous condition in the form of gel-sol transformation. The mechanism of such transformation was also investigated through UV-vis spectroscopy and powder X-ray diffraction. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.01.137

文献信息

• A hexaazatriphenylene-based organogel that responds to silver(I) with high selectivity under aqueous condition
  作者：Zhi-Gang Tao、Xin Zhao、Xi-Kui Jiang、Zhan-Ting Li

  DOI：10.1016/j.tetlet.2012.01.137

  日期：2012.4

  A hexaazatriphenylene (HAT)-based gelator was developed. It exhibits excellent gelation ability. The resulting organogel shows very high selectivity toward Ag+ ion under aqueous condition in the form of gel-sol transformation. The mechanism of such transformation was also investigated through UV-vis spectroscopy and powder X-ray diffraction. (C) 2012 Elsevier Ltd. All rights reserved.