6,13-bis(4-propylphenyl)pentacene | 1235409-88-7

• 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(4-propylphenyl)pentacene
• 英文别名: 6,13-Bis(4-propylphenyl)pentacene
• CAS: 1235409-88-7
• 化学式: C₄₀H₃₄
• 分子量: 514.71
• InChiKey: LGBHKSZDVXLQII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.6
• 重原子数：
  40
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.15
• 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：

  6,13-五并苯醌 、 4-丙基溴苯 在 magnesium 、 盐酸 、 tin(ll) chloride 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 0.5h， 以44.3%的产率得到6,13-bis(4-propylphenyl)pentacene
  参考文献：
  名称：

  The synthesis and photoelectric study of 6,13-bis(4-propylphenyl)pentacene, and its TiO2 nano-sized composite films

  摘要：

  The synthesized 6,13-bis(4-propylphenyl)pentacene(BPP) is much more soluble and stable than pentacene. The introduction of 4-propylphenyl group leads the solubility to 7.33 mg/mL in CHCl3. In cyclic voltammetry (CV) test, it was found that its forbidden band gap is 1.88 eV. Moreover, a series of BPP-TiO2 composites were constructed. Characterizations proved that an interaction between BPP and TiO2 has probably occurred, leading to the generation of some novel properties. The most interesting result is that the forbidden band gaps of the composite materials are much smaller than that of BPP and TiO2. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.jpcs.2009.12.080

文献信息

• The synthesis and photoelectric study of 6,13-bis(4-propylphenyl)pentacene, and its TiO2 nano-sized composite films
  作者：Zhong Huang、Yuansheng Jang、Xiuying Yang、Weiliang Cao、Jingchang Zhang

  DOI：10.1016/j.jpcs.2009.12.080

  日期：2010.3

  The synthesized 6,13-bis(4-propylphenyl)pentacene(BPP) is much more soluble and stable than pentacene. The introduction of 4-propylphenyl group leads the solubility to 7.33 mg/mL in CHCl3. In cyclic voltammetry (CV) test, it was found that its forbidden band gap is 1.88 eV. Moreover, a series of BPP-TiO2 composites were constructed. Characterizations proved that an interaction between BPP and TiO2 has probably occurred, leading to the generation of some novel properties. The most interesting result is that the forbidden band gaps of the composite materials are much smaller than that of BPP and TiO2. (C) 2010 Elsevier Ltd. All rights reserved.