5,11,14,20,28,34,37,43-Octazatridecacyclo[22.22.6.02,23.04,21.06,19.07,12.013,18.025,46.027,44.029,42.030,35.036,41.047,52]dopentaconta-2,4(21),5,7(12),8,10,13(18),14,16,19,22,25,27(44),28,30(35),31,33,36(41),37,39,42,45,47,49,51-pentacosaene | 1334701-33-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: 5,11,14,20,28,34,37,43-Octazatridecacyclo[22.22.6.02,23.04,21.06,19.07,12.013,18.025,46.027,44.029,42.030,35.036,41.047,52]dopentaconta-2,4(21),5,7(12),8,10,13(18),14,16,19,22,25,27(44),28,30(35),31,33,36(41),37,39,42,45,47,49,51-pentacosaene
• 英文别名: 5,11,14,20,28,34,37,43-octazatridecacyclo[22.22.6.02,23.04,21.06,19.07,12.013,18.025,46.027,44.029,42.030,35.036,41.047,52]dopentaconta-2,4(21),5,7(12),8,10,13(18),14,16,19,22,25,27(44),28,30(35),31,33,36(41),37,39,42,45,47,49,51-pentacosaene
• CAS: 1334701-33-5
• 化学式: C₄₄H₂₂N₈
• 分子量: 662.712
• InChiKey: CMKROHXOVACNAP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  52
• 可旋转键数：
  0
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  103
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1,10-邻二氮杂菲-5,6-二酮 、 2,3,6,7-tetraaminotriptycene 以 乙醇 为溶剂， 反应 18.0h， 以93%的产率得到5,11,14,20,28,34,37,43-Octazatridecacyclo[22.22.6.02,23.04,21.06,19.07,12.013,18.025,46.027,44.029,42.030,35.036,41.047,52]dopentaconta-2,4(21),5,7(12),8,10,13(18),14,16,19,22,25,27(44),28,30(35),31,33,36(41),37,39,42,45,47,49,51-pentacosaene
  参考文献：
  名称：

  Molecular Scaffolding of Prussian Blue Analogues Using a Phenanthroline-Extended Triptycene Ligand

  摘要：

  Shape-persistent ligands with triptycene groups are promising candidates for the development of porous metal-organic frameworks with functional surface area. In this work, a series of phenanthroline-extended triptycene compounds was synthesized and used as structure-directing ligands for the fabrication of a triptycene-scaffolded Prussian blue analogue. The ligands were reacted with K(3)[Fe(CN)(6)] and CuCl(2) under hydrothermal conditions to afford two new clathrates: a coordination compound of (triptycenyl phenanthroline) copper(I) and an infinite one-dimensional zigzag coordination polymer of copper cyanide scaffolded by phenanthroline-extended triptycenes. These structures illustrate the potential for the triptycene-functionalized ligands to provide access to materials with interesting architectures.

  DOI：

  10.1021/cg200788f

文献信息

• Molecular Scaffolding of Prussian Blue Analogues Using a Phenanthroline-Extended Triptycene Ligand
  作者：Xavier Roy、Jonathan H. Chong、Brian O. Patrick、Mark J. MacLachlan

  DOI：10.1021/cg200788f

  日期：2011.10.5

  Shape-persistent ligands with triptycene groups are promising candidates for the development of porous metal-organic frameworks with functional surface area. In this work, a series of phenanthroline-extended triptycene compounds was synthesized and used as structure-directing ligands for the fabrication of a triptycene-scaffolded Prussian blue analogue. The ligands were reacted with K(3)[Fe(CN)(6)] and CuCl(2) under hydrothermal conditions to afford two new clathrates: a coordination compound of (triptycenyl phenanthroline) copper(I) and an infinite one-dimensional zigzag coordination polymer of copper cyanide scaffolded by phenanthroline-extended triptycenes. These structures illustrate the potential for the triptycene-functionalized ligands to provide access to materials with interesting architectures.