| 1435751-53-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• CAS: 1435751-53-3
• 化学式: C₁₇₆H₂₂₆N₈O₈
• 分子量: 2581.78
• InChiKey: ZTDQDFWSZFWHMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  63.1
• 重原子数：
  192
• 可旋转键数：
  86
• 环数：
  24.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  201
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  16,17-Diamino-10,25-di(tricosan-12-yl)-10,25-diazanonacyclo[21.7.1.14,8.02,21.03,14.05,30.015,20.027,31.012,32]dotriaconta-1,3,5(30),6,8(32),12,14,16,18,20,22,27(31),28-tridecaene-9,11,24,26-tetrone 、 4,5,9,10-吡咯烷酮,2,7-双(1,1-二甲基乙基) 在 溶剂黄146 作用下， 以 氯仿 为溶剂， 以55%的产率得到
  参考文献：
  名称：

  Regioselective Photocyclization To Prepare Multifunctional Blocks for Ladder-Conjugated Materials

  摘要：

  Multifunctional building blocks 8 and 9 were efficiently synthesized by fusing a perylene-3,4,9,10-tetracarboxylic acid bisimide (PBI) core with o-phenylenediamine, and they were condensed with a pyrenedione and a pyrenetetraone, respectively, to construct new ladder-type conjugated oligomers 12 and 13. In the key photocyclization step, an unusual regioselectivity at the position ortho to the nitro group was discovered in the coupling of the o-nitroaniline functional units at the bay sites of PBI. Bulk-heterojunction solar cells based on 12 and 13 as the acceptors exhibited reasonable performance.

  DOI：

  10.1021/jo400619u