4-[2-[9,10-Bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-6-(2-pyridin-4-ylethynyl)phenanthren-3-yl]ethynyl]pyridine | 1346783-19-4

• 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-[2-[9,10-Bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-6-(2-pyridin-4-ylethynyl)phenanthren-3-yl]ethynyl]pyridine
• CAS: 1346783-19-4
• 化学式: C₇₀H₅₂N₂O₆
• 分子量: 1017.19
• InChiKey: ABWGNHHTYDBZMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.1
• 重原子数：
  78
• 可旋转键数：
  22
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  81.2
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  3,6-二溴菲-9,10-二醇 在 copper(l) iodide 、 四(三苯基膦)钯 、 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 26.0h， 生成 4-[2-[9,10-Bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-6-(2-pyridin-4-ylethynyl)phenanthren-3-yl]ethynyl]pyridine
  参考文献：
  名称：

  Design and Synthesis of 60° Dendritic Donor Ligands and Their Coordination-Driven Self-Assembly into Supramolecular Rhomboidal Metallodendrimers

  摘要：

  The design and self-assembly of novel rhomboidal metallodendrimers via coordination-driven self-assembly is described. By employing newly designed 60 degrees ditopic donor linkers substituted with Frechet-type dendrons and appropriate 120 degrees rigid di-Pt(II) acceptor subunits, a variety of [G-1] [G-3] rhomboidal metallodendrimers with well-defined shape and size were prepared under mild conditions in high yields. The supramolecular metalloden-drimers were characterized with multinuclear NMR (H-1 and P-31), mass spectrometry (CSI-TOF-MS), and elemental analysis. Isotopically resolved mass spectrometry data support the existence of the metallodendrimers with rhomboidal cavities, and NMR data were consistent with the formation of all ensembles. The shape and size of all rhomboidal metallodendrimers were investigated with the PM6 semiempirical molecular orbital method.

  DOI：

  10.1021/jo201594u

文献信息

• Design and Synthesis of 60° Dendritic Donor Ligands and Their Coordination-Driven Self-Assembly into Supramolecular Rhomboidal Metallodendrimers
  作者：Qing Han、Quan-Jie Li、Jiuming He、Bingjie Hu、Hongwei Tan、Zeper Abliz、Cui-Hong Wang、Yihua Yu、Hai-Bo Yang

  DOI：10.1021/jo201594u

  日期：2011.12.2

  The design and self-assembly of novel rhomboidal metallodendrimers via coordination-driven self-assembly is described. By employing newly designed 60 degrees ditopic donor linkers substituted with Frechet-type dendrons and appropriate 120 degrees rigid di-Pt(II) acceptor subunits, a variety of [G-1] [G-3] rhomboidal metallodendrimers with well-defined shape and size were prepared under mild conditions in high yields. The supramolecular metalloden-drimers were characterized with multinuclear NMR (H-1 and P-31), mass spectrometry (CSI-TOF-MS), and elemental analysis. Isotopically resolved mass spectrometry data support the existence of the metallodendrimers with rhomboidal cavities, and NMR data were consistent with the formation of all ensembles. The shape and size of all rhomboidal metallodendrimers were investigated with the PM6 semiempirical molecular orbital method.