| 1233402-48-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• CAS: 1233402-48-6
• 化学式: C₇₂H₁₆OS
• 分子量: 928.984
• InChiKey: PYBADRRKFGKAAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  20.21
• 重原子数：
  74.0
• 可旋转键数：
  7.0
• 环数：
  34.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  2-辛酰基噻吩 、 足球烯 在 四溴化碳 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 邻二氯苯 为溶剂， 反应 4.0h， 以37%的产率得到
  参考文献：
  名称：

  Mono-Ketone Modified C₆₀s for Acceptor Materials in Organic Photovoltaic Cells

  摘要：

  We designed and synthesized methanofullerene derivatives with several types of thiophenyl mono-ketone for application in organic photovoltaic cells (OPVCs) as new accepter materials. The various mono-ketones having thiophene rings were substituted onto fullerene through application of Hirch-Bingel reaction under mild condition to compete with donor materials especially P3HT [Poly(3-hexylthiophene)] for nano-networking bulk-heterojunction structure where efficient light-induced charge separation is enable by a large-area donor-acceptor interface. The newly synthesized methanofullerene derivatives were characterized through H-1-NMR and FAB Mass spectroscopy. The compounds were also applied in OPV cell devices with P3HT as a donor material and measured electrochemical the property and power conversion efficiency.

  DOI：

  10.1080/15421400802330689