6,13-bis-(triethylsilylethynyl)pentacene

• 分子结构分类: 有机化合物 - 苯类化合物 - 并五苯
• 英文名称: 6,13-bis-(triethylsilylethynyl)pentacene
• 英文别名: 6,13-bis(triethylsilylethynyl)pentacene；6,13-Bis((triethylsilyl)ethynyl)pentacene；triethyl-[2-[13-(2-triethylsilylethynyl)pentacen-6-yl]ethynyl]silane
• 化学式: C₃₈H₄₂Si₂
• 分子量: 554.922
• InChiKey: WSBQAUOFFOKRMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.1
• 重原子数：
  40
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  三乙基矽乙炔 、 6,13-五并苯醌 在 异丙基氯化镁 、 盐酸 、 tin(ll) chloride 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 0.25h， 以94%的产率得到6,13-bis-(triethylsilylethynyl)pentacene
  参考文献：
  名称：

  A Road Map to Stable, Soluble, Easily Crystallized Pentacene Derivatives

  摘要：

  [GRAPHICS]A series of 6,13-disubstituted pentacenes, in which the substituents are functionalized ethyne units, were synthesized and analyzed by X-ray crystallography. The resulting pentacene derivatives were highly soluble and oxidatively stable and exhibited a significant amount of pi-stacking in the crystal.

  DOI：

  10.1021/ol0167356

文献信息

• A Road Map to Stable, Soluble, Easily Crystallized Pentacene Derivatives
  作者：John E. Anthony、David L. Eaton、Sean R. Parkin

  DOI：10.1021/ol0167356

  日期：2002.1.1

  [GRAPHICS]A series of 6,13-disubstituted pentacenes, in which the substituents are functionalized ethyne units, were synthesized and analyzed by X-ray crystallography. The resulting pentacene derivatives were highly soluble and oxidatively stable and exhibited a significant amount of pi-stacking in the crystal.