6-(phenylethynyl)-13-((triisopropylsilyl)ethynyl)-6,13-dihydropentacene-6,13-diol | 1051394-82-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 6-(phenylethynyl)-13-((triisopropylsilyl)ethynyl)-6,13-dihydropentacene-6,13-diol
• CAS: 1051394-82-1
• 化学式: C₄₁H₄₀O₂Si
• 分子量: 592.853
• InChiKey: JFCQSYPHCNOAHT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.05
• 重原子数：
  44.0
• 可旋转键数：
  3.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  40.46
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  6-(phenylethynyl)-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91%的产率得到2-[13-(2-Phenylethynyl)pentacen-6-yl]ethynyl-tri(propan-2-yl)silane
  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
• 作为产物：
  描述：

  13-hydroxy-13-((triisopropylsilyl)ethynyl)pentacen-6-one 、 苯乙炔 在 正己基锂 、 水 、 氯化铵 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 0.25h， 以88%的产率得到6-(phenylethynyl)-13-((triisopropylsilyl)ethynyl)-6,13-dihydropentacene-6,13-diol
  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

• Synthesis and Electronic Properties of Conjugated Pentacene Dimers
  作者：Dan Lehnherr、Jianbo Gao、Frank A. Hegmann、Rik R. Tykwinski

  DOI：10.1021/ol801886h

  日期：2008.11.6

  Conjugated pentacene dimers 1-3 were synthesized in two steps from readily available precursors. Noteworthy is the initial step, which assembles five independent fragments to form the carbon-rich molecular framework. Solution-cast films of these materials are air stable. Photocurrent measurements for solution-deposited thin films show that dimer 3 exhibits photoconductive gain >10.