2-[13-(2-Phenylethynyl)pentacen-6-yl]ethynyl-tri(propan-2-yl)silane | 1051394-96-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 并五苯
• 英文名称: 2-[13-(2-Phenylethynyl)pentacen-6-yl]ethynyl-tri(propan-2-yl)silane
• 英文别名: 2-[13-(2-phenylethynyl)pentacen-6-yl]ethynyl-tri(propan-2-yl)silane
• CAS: 1051394-96-7
• 化学式: C₄₁H₃₈Si
• 分子量: 558.838
• InChiKey: FPDKNUKJNRPFTN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.27
• 重原子数：
  42
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.22
• 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-(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

文献信息

• Pentacene-Based Polycyclic Aromatic Hydrocarbon Dyads with Cofacial Solid-State π-Stacking
  作者：Dan Lehnherr、Adrian H. Murray、Robert McDonald、Michael J. Ferguson、Rik R. Tykwinski

  DOI：10.1002/chem.200902179

  日期：2009.11.23

  Give me five! Pentacene‐based polycyclic aromatic hydrocarbon (PAH) dyads are synthesized via an unsymmetrical pentacene building block. These molecules exhibit cofacial solid‐state π‐stacking as a result of the large aromatic chromophores. The choice of the PAH attached to the pentacene (see picture) influences the electronic properties as determined by UV/Vis absorption/emission spectroscopy and

  击个掌！并五苯多环芳烃（PAH）二元化合物是通过不对称并五苯分子构建的。由于大的芳香族发色团，这些分子表现出界面固态π堆积。与并五苯连接的PAH的选择（参见图片）会影响通过UV / Vis吸收/发射光谱和循环伏安法测定的电子性能。
• 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.