Methyl 4-(24-phenyl-24-heptadecacyclo[21.16.1.02,21.03,38.04,19.05,36.06,18.07,34.08,32.09,17.010,30.011,16.012,28.013,26.014,22.015,20.023,25]tetraconta-1(40),2,4(19),5(36),6(18),7,9(17),10(30),11,13(26),14(22),15,20,27,31,34,38-heptadecaenyl)butanoate

• 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: Methyl 4-(24-phenyl-24-heptadecacyclo[21.16.1.02,21.03,38.04,19.05,36.06,18.07,34.08,32.09,17.010,30.011,16.012,28.013,26.014,22.015,20.023,25]tetraconta-1(40),2,4(19),5(36),6(18),7,9(17),10(30),11,13(26),14(22),15,20,27,31,34,38-heptadecaenyl)butanoate
• 英文别名: methyl 4-(24-phenyl-24-heptadecacyclo[21.16.1.02,21.03,38.04,19.05,36.06,18.07,34.08,32.09,17.010,30.011,16.012,28.013,26.014,22.015,20.023,25]tetraconta-1(40),2,4(19),5(36),6(18),7,9(17),10(30),11,13(26),14(22),15,20,27,31,34,38-heptadecaenyl)butanoate
• 化学式: C₅₁H₂₆O₂
• 分子量: 670.7
• InChiKey: IGLRIVWSIAWPKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.8
• 重原子数：
  53
• 可旋转键数：
  6
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• POLYMER/FULLERENE FORMATIONS AND THEIR USE IN ELECTRONIC/PHOTONIC DEVICES
  申请人：THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY

  公开号：US20160322575A1

  公开（公告）日：2016-11-03

  The present subject matter relates to a formulation comprising an organic solvent, a fullerene, and a conjugated polymer, wherein a solution of the conjugated polymer exhibits a peak optical absorption spectrum red shift of at least 100 nm when the conjugated polymer solution is cooled from 120° C. to room temperature, and wherein the fullerene is not phenyl-C71-butyric-acid-methyl-ester (PC71BM). The present subject matter further relates to the use of a formulation as described above further characterized in that the fullerene is not phenyl-C61-butyric-acid-methyl-ester (PC61BM).