6,13-bis(5'-hexyl-5,2'bithiophen-2-yl)pentacene | 1160725-35-8

• 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(5'-hexyl-5,2'bithiophen-2-yl)pentacene
• 英文别名: 2-Hexyl-5-[5-[13-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]pentacen-6-yl]thiophen-2-yl]thiophene；2-hexyl-5-[5-[13-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]pentacen-6-yl]thiophen-2-yl]thiophene
• CAS: 1160725-35-8
• 化学式: C₅₀H₄₆S₄
• 分子量: 775.179
• InChiKey: ASFMAEXHJITSLB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18
• 重原子数：
  54
• 可旋转键数：
  14
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  113
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  6,13-五并苯醌 、 5-己基-2,2-二噻吩 在 正丁基锂 、 盐酸 、 tin(ll) chloride 作用下， 以 四氢呋喃 、 正己烷 、 水 为溶剂， 以50%的产率得到6,13-bis(5'-hexyl-5,2'bithiophen-2-yl)pentacene
  参考文献：
  名称：

  New Oligothiophene-Pentacene Hybrids as Highly Stable and Soluble Organic Semiconductors

  摘要：

  Two series of new oligothiophene-pentacene hybrid compounds were successfully synthesized and characterized, which consist of pentacene and anthradithiophene skeletons modified by different oligothienyl groups at 6,13 sites or 5,11 sites, respectively. Their optical, thermal, and electrochemical properties show regular variations with the length change of the side groups. These materials exhibit much higher solubility and significantly improved thermal and photooxidation stabilities compared with unmodified pentacene and anthradithiophene.

  DOI：

  10.1021/ol900838a

文献信息

• New Oligothiophene-Pentacene Hybrids as Highly Stable and Soluble Organic Semiconductors
  作者：Jing Wang、Ke Liu、Yi-Yang Liu、Cheng-Li Song、Zi-Fa Shi、Jun-Biao Peng、Hao-Li Zhang、Xiao-Ping Cao

  DOI：10.1021/ol900838a

  日期：2009.6.18

  Two series of new oligothiophene-pentacene hybrid compounds were successfully synthesized and characterized, which consist of pentacene and anthradithiophene skeletons modified by different oligothienyl groups at 6,13 sites or 5,11 sites, respectively. Their optical, thermal, and electrochemical properties show regular variations with the length change of the side groups. These materials exhibit much higher solubility and significantly improved thermal and photooxidation stabilities compared with unmodified pentacene and anthradithiophene.