13-(4-Methylphenylethynyl)-6-(triisopropylethynyl)pentacene | 1051394-95-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 并五苯
• 英文名称: 13-(4-Methylphenylethynyl)-6-(triisopropylethynyl)pentacene
• 英文别名: 2-[13-[2-(4-methylphenyl)ethynyl]pentacen-6-yl]ethynyl-tri(propan-2-yl)silane
• CAS: 1051394-95-6
• 化学式: C₄₂H₄₀Si
• 分子量: 572.865
• InChiKey: STDMMUIFKOCEGE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.58
• 重原子数：
  43
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.24
• 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：

  6-(p-tolylethynyl)-13-((triisopropylsilyl)ethynyl)-6,13-dihydropentacene-6,13-diol 在 tin(ll) chloride 作用下， 以 四氢呋喃 为溶剂， 反应 5.5h， 以94%的产率得到13-(4-Methylphenylethynyl)-6-(triisopropylethynyl)pentacene
  参考文献：
  名称：

  Exploring Electronically Polarized Pentacenes

  摘要：

  Unsymmetrically functionalized pentacenes with electron-rich and/or -poor substituents at the 6- and 13-positions were synthesized. The electronic influence was evaluated by solution-state UV-vis absorption and emission spectroscopies. These materials exhibit good solubility in common organic solvents and are stable in the presence of air and water.

  DOI：

  10.1021/ol801464k

文献信息

• Exploring Electronically Polarized Pentacenes
  作者：Dan Lehnherr、Robert McDonald、Rik R. Tykwinski

  DOI：10.1021/ol801464k

  日期：2008.10.2

  Unsymmetrically functionalized pentacenes with electron-rich and/or -poor substituents at the 6- and 13-positions were synthesized. The electronic influence was evaluated by solution-state UV-vis absorption and emission spectroscopies. These materials exhibit good solubility in common organic solvents and are stable in the presence of air and water.