15,18-Dibromo-5,8-dithia-13,20-diazapentacyclo[10.8.0.02,6.07,11.014,19]icosa-1(20),2(6),3,7(11),9,12,14,16,18-nonaene | 1308276-51-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 15,18-Dibromo-5,8-dithia-13,20-diazapentacyclo[10.8.0.02,6.07,11.014,19]icosa-1(20),2(6),3,7(11),9,12,14,16,18-nonaene
• CAS: 1308276-51-8
• 化学式: C₁₆H₆Br₂N₂S₂
• 分子量: 450.177
• InChiKey: WFHBRWQGAWGRSY-UHFFFAOYSA-N

物化性质

• 沸点：
  635.3±50.0 °C(Predicted)
• 密度：
  2.012±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  82.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,7-bis(trimethylsilyl)benzo[1,2-b:6,5-b']dithiophene-4,5-dione 在 溶剂黄146 、 三氟乙酸 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 3.0h， 生成 15,18-Dibromo-5,8-dithia-13,20-diazapentacyclo[10.8.0.02,6.07,11.014,19]icosa-1(20),2(6),3,7(11),9,12,14,16,18-nonaene
  参考文献：
  名称：

  Synthesis, Characterization, Charge Transport, and Photovoltaic Properties of Dithienobenzoquinoxaline- and Dithienobenzopyridopyrazine-Based Conjugated Polymers

  摘要：

  Two donor acceptor polymers (P1 and P2) based on dithienobenzoquinoxaline (M1) and dithienobenzopyridopyrazine (M2) as acceptor and indacenodithiophene as donor were synthesized via Stile polycondensation. The fused dithienobenzene unit in M1 and M2 units can improve the intermolecular stacking of polymer and also decrease the steric hindrance. P1, with dithienobenzoquinoxaline acceptor, shows a band gap of 1.61 eV. The band gap of P2 was reduced to 1.48 eV after changing to dithienobenzopyridopyrazine as the acceptor unit. The mobilities of P1 and P2 reach 5.6 x 10(-2) and 1.5 x 10(-2) cm V(-1) s(-1), respectively. The results from photovoltaic measurements showed a very promising PCE of 6.06% for the P1/PC(71)BM blend system without any thermal or solvent treatments, showing a great offer for the roll-to-roll manufacturing of PSCs.

  DOI：

  10.1021/ma2008699