11-[4,5-Bis(5-octylthiophen-2-yl)thiophen-2-yl]-9,26,28-tris[5-(5-octylthiophen-2-yl)-4-(5-octylthiophen-2-yl)thiophen-2-yl]-10,27-dithia-7,13,24,30-tetrazaundecacyclo[20.12.2.22,5.03,18.04,15.06,13.08,12.019,35.023,30.025,29.032,36]octatriaconta-1(34),2,4,6,8,11,15,17,19(35),20,22(36),23,25,28,32,37-hexadecaene-14,31-dione | 1314033-28-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 11-[4,5-Bis(5-octylthiophen-2-yl)thiophen-2-yl]-9,26,28-tris[5-(5-octylthiophen-2-yl)-4-(5-octylthiophen-2-yl)thiophen-2-yl]-10,27-dithia-7,13,24,30-tetrazaundecacyclo[20.12.2.22,5.03,18.04,15.06,13.08,12.019,35.023,30.025,29.032,36]octatriaconta-1(34),2,4,6,8,11,15,17,19(35),20,22(36),23,25,28,32,37-hexadecaene-14,31-dione
• 英文别名: 11-[4,5-bis(5-octylthiophen-2-yl)thiophen-2-yl]-9,26,28-tris[5-(5-octylthiophen-2-yl)-4-(5-octylthiophen-2-yl)thiophen-2-yl]-10,27-dithia-7,13,24,30-tetrazaundecacyclo[20.12.2.22,5.03,18.04,15.06,13.08,12.019,35.023,30.025,29.032,36]octatriaconta-1(34),2,4,6,8,11,15,17,19(35),20,22(36),23,25,28,32,37-hexadecaene-14,31-dione
• CAS: 1314033-28-7
• 化学式: C₁₄₄H₁₆₄N₄O₂S₁₄
• 分子量: 2431.84
• InChiKey: QDZBMCKEDNAACE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  49.1
• 重原子数：
  164
• 可旋转键数：
  68
• 环数：
  23.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  383
• 氢给体数：
  0
• 氢受体数：
  18

反应信息

• 作为产物：
  描述：

  2,5-di(5,5''-dioctyl-[2,2';3',2'']terthiophene)-3,4-diaminethiophene 、 3,4,9,10-苝四羧酸二酐 在 水杨酸 作用下， 反应 8.0h， 以0.26 g的产率得到11-[4,5-Bis(5-octylthiophen-2-yl)thiophen-2-yl]-9,26,28-tris[5-(5-octylthiophen-2-yl)-4-(5-octylthiophen-2-yl)thiophen-2-yl]-10,27-dithia-7,13,24,30-tetrazaundecacyclo[20.12.2.22,5.03,18.04,15.06,13.08,12.019,35.023,30.025,29.032,36]octatriaconta-1(34),2,4,6,8,11,15,17,19(35),20,22(36),23,25,28,32,37-hexadecaene-14,31-dione
  参考文献：
  名称：

  Synthesis and Optical Properties of Soluble Near-Infrared Arylene Bisthienoimidazole Dyes

  摘要：

  Soluble, film-forming near-infrared arylene bisthienoimidazole dyes with a band gap of 1.2-1.3 eV are electrochromic and absorb strongly at the telecommunication wavelengths (1310 and 1550 nm) in the oxidized state.

  DOI：

  10.1021/ol201587g

文献信息

• Synthesis and Optical Properties of Soluble Near-Infrared Arylene Bisthienoimidazole Dyes
  作者：Min Luo、Qun Wang、Zhi Yuan Wang

  DOI：10.1021/ol201587g

  日期：2011.8.5

  Soluble, film-forming near-infrared arylene bisthienoimidazole dyes with a band gap of 1.2-1.3 eV are electrochromic and absorb strongly at the telecommunication wavelengths (1310 and 1550 nm) in the oxidized state.