4'-{4-[(E)-2-(4-{(2,5-bis(dodecyloxy)-4-[((E)-4-(4-(2,2':6',2''-terpyridin-4'-yl)styryl))-phenylethynyl]-phenyl)ethynyl}-phenyl)-vinyl]-phenyl}-2,2':6',2''-terpyridine

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 4'-{4-[(E)-2-(4-{(2,5-bis(dodecyloxy)-4-[((E)-4-(4-(2,2':6',2''-terpyridin-4'-yl)styryl))-phenylethynyl]-phenyl)ethynyl}-phenyl)-vinyl]-phenyl}-2,2':6',2''-terpyridine
• 英文别名: 4-[4-[(E)-2-[4-[2-[4-[2-[4-[(E)-2-[4-(2,6-dipyridin-2-ylpyridin-4-yl)phenyl]ethenyl]phenyl]ethynyl]-2,5-didodecoxyphenyl]ethynyl]phenyl]ethenyl]phenyl]-2,6-dipyridin-2-ylpyridine
• 化学式: C₉₂H₉₂N₆O₂
• 分子量: 1313.78
• InChiKey: RBTMHSZFDXPKGI-JUWAPXIKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  25.2
• 重原子数：
  100
• 可旋转键数：
  38
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  95.8
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4'-[4-(溴甲基)苯基]-2,2':6',2''-三联吡啶 在 potassium tert-butylate 作用下， 以 甲苯 为溶剂， 反应 12.5h， 生成 4'-{4-[(E)-2-(4-{(2,5-bis(dodecyloxy)-4-[((E)-4-(4-(2,2':6',2''-terpyridin-4'-yl)styryl))-phenylethynyl]-phenyl)ethynyl}-phenyl)-vinyl]-phenyl}-2,2':6',2''-terpyridine
  参考文献：
  名称：

  Rigid π-Conjugated Mono-, Bis-, and Tris(2,2‘:6‘,2‘ ‘-terpyridines)

  摘要：

  A set of rigid, pi-conjugated linear mono- and bisterpyridines and star-shaped tristerpyridines have been synthesized using Pd(0)-catalyzed coupling reactions and the Horner-Wadsworth-Emmons reaction. The terpyridyl ligands obtained feature strong emission in the blue range with high quantum yields in dilute solution and thin films.

  DOI：

  10.1021/ol0707261

文献信息

• Rigid π-Conjugated Mono-, Bis-, and Tris(2,2‘:6‘,2‘ ‘-terpyridines)
  作者：Andreas Winter、Daniel A. M. Egbe、Ulrich S. Schubert

  DOI：10.1021/ol0707261

  日期：2007.6.1

  A set of rigid, pi-conjugated linear mono- and bisterpyridines and star-shaped tristerpyridines have been synthesized using Pd(0)-catalyzed coupling reactions and the Horner-Wadsworth-Emmons reaction. The terpyridyl ligands obtained feature strong emission in the blue range with high quantum yields in dilute solution and thin films.