3-Pyridin-3-yl-5-[5-[[4-[4-[[5-(5-pyridin-3-ylpyridin-3-yl)pyridin-3-yl]methoxy]phenyl]phenoxy]methyl]pyridin-3-yl]pyridine | 773885-85-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-Pyridin-3-yl-5-[5-[[4-[4-[[5-(5-pyridin-3-ylpyridin-3-yl)pyridin-3-yl]methoxy]phenyl]phenoxy]methyl]pyridin-3-yl]pyridine
• 英文别名: 3-pyridin-3-yl-5-[5-[[4-[4-[[5-(5-pyridin-3-ylpyridin-3-yl)pyridin-3-yl]methoxy]phenyl]phenoxy]methyl]pyridin-3-yl]pyridine
• CAS: 773885-85-1
• 化学式: C₄₄H₃₂N₆O₂
• 分子量: 676.777
• InChiKey: POLRWJNAMMIUNS-UHFFFAOYSA-N

物化性质

• 熔点：
  299-304 °C
• 沸点：
  908.3±65.0 °C(Predicted)
• 密度：
  1.242±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  52
• 可旋转键数：
  11
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  95.8
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (乙烯二胺)钯(II)二硝酸盐 、 di(ethylene glycol) bis(2-anthracenecarboxylate) 、 3-Pyridin-3-yl-5-[5-[[4-[4-[[5-(5-pyridin-3-ylpyridin-3-yl)pyridin-3-yl]methoxy]phenyl]phenoxy]methyl]pyridin-3-yl]pyridine 以 氘代乙腈 、 重水 为溶剂， 生成
  参考文献：
  名称：

  A 3.5-nm Coordination Nanotube

  摘要：

  A 3.5-nm coordination nanotube was self-assembled from 12 Pd(II) ions and four tape-shaped ligands with the aid of a 3.0-nm template. This tubular structure was unambiguously determined by the single-crystal X-ray analysis. Being cooperatively sustained by 24 Pd(II)-pyridine interactions, the framework was kinetically stable even when the template was removed. The empty tube was, of course, capable of binding other molecules in the cavity.

  DOI：

  10.1021/ja047048n
• 作为产物：
  描述：

  3-溴-5-氯甲基吡啶盐酸盐 在 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 270.0h， 生成 3-Pyridin-3-yl-5-[5-[[4-[4-[[5-(5-pyridin-3-ylpyridin-3-yl)pyridin-3-yl]methoxy]phenyl]phenoxy]methyl]pyridin-3-yl]pyridine
  参考文献：
  名称：

  A 3.5-nm Coordination Nanotube

  摘要：

  A 3.5-nm coordination nanotube was self-assembled from 12 Pd(II) ions and four tape-shaped ligands with the aid of a 3.0-nm template. This tubular structure was unambiguously determined by the single-crystal X-ray analysis. Being cooperatively sustained by 24 Pd(II)-pyridine interactions, the framework was kinetically stable even when the template was removed. The empty tube was, of course, capable of binding other molecules in the cavity.

  DOI：

  10.1021/ja047048n

文献信息

• METHOD FOR IDENTIFYING MOLECULAR STRUCTURE
  申请人：THE UNIVERSITY OF TOKYO

  公开号：US20200096461A1

  公开（公告）日：2020-03-26

  The present invention provides a novel method for identifying a molecular structure by single crystal X-ray analysis. A single crystal that gives an X-ray diffraction spectrum sufficient for determining the structure of the molecule can be efficiently obtained by including a test molecule in a metal complex and then crystallizing the test-molecule-including metal complex. By analyzing this single crystal by X-ray analysis, it is possible to determine the structure of the test molecule without obtaining a single crystal of the test molecule. With the method according to the present invention, the structure of a test molecule in a trace amount of sample can also be determined.
• A 3.5-nm Coordination Nanotube
  作者：Takumi Yamaguchi、Shohei Tashiro、Masahide Tominaga、Masaki Kawano、Tomoji Ozeki、Makoto Fujita

  DOI：10.1021/ja047048n

  日期：2004.9.1

  A 3.5-nm coordination nanotube was self-assembled from 12 Pd(II) ions and four tape-shaped ligands with the aid of a 3.0-nm template. This tubular structure was unambiguously determined by the single-crystal X-ray analysis. Being cooperatively sustained by 24 Pd(II)-pyridine interactions, the framework was kinetically stable even when the template was removed. The empty tube was, of course, capable of binding other molecules in the cavity.