| 950601-30-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• CAS: 950601-30-6
• 化学式: C₇₇H₁₀F₁₇N
• 分子量: 1271.91
• InChiKey: BQIBRIWVSNMDCS-LAJYGZDISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  23.45
• 重原子数：
  95.0
• 可旋转键数：
  8.0
• 环数：
  34.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  3.24
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  肌氨酸 、 4-perfluorooctylbenzaldehyde 、 足球烯 以 甲苯 为溶剂， 以15%的产率得到
  参考文献：
  名称：

  Buckminsterfullerene derivatives bearing a fluoroalkyl group for use in organic photovoltaic cells

  摘要：

  Six novel fluoroalkylpyrrolidine-substituted [60]fullerene derivatives were synthesized and their ability to perform as new n-type organic photovoltaic materials was evaluated. The fullerene derivatives were soluble in common organic solvents, affording good processability properties for the fabrication of photovoltaic cells, and showed an absorption range and molar extinctions similar to those of 16,6]-phenyl C-61 butyric acid methyl ester. Bulk-heterojunction photovoltaic cells using poly(3-hexylthiophene):fullerene derivative blends as the photovoltaic active layers were fabricated and characterized. The performances of the photovoltaic cells were notably affected by the substituents on the fullerene derivatives. Short fluoroalkyl (C4F9) chains on pyrrolidine-linked phenyl groups were suitable substituents for the photovoltaic materials in the current study. This fullerene derivative bearing a C4F9-phenyl group showed a moderate power conversion efficiency of 0.53% during simulated AM 1.5 G solar irradiation at 100 mW/cm(2). This is so far the first report of the use of fluoroalkyl fullerene derivatives as the active materials in organic photovoltaic cells. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2012.09.009