| 1350720-04-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• CAS: 1350720-04-5
• 化学式: C₉₄H₇₄N₂O₄
• 分子量: 1295.63
• InChiKey: YHMVFANSOAXELO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  26.8
• 重原子数：
  100
• 可旋转键数：
  10
• 环数：
  22.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  74.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  在 iron(III) chloride 作用下， 以 硝基甲烷 、 二氯甲烷 为溶剂， 反应 0.5h， 以77%的产率得到
  参考文献：
  名称：

  Core-Extended Terrylene Diimide on the Bay Region: Synthesis and Optical and Electrochemical Properties

  摘要：

  Two novel core-extended terrylene diimides on the bay region (CETDIs) were synthesized via annulation of the four additional ethylene units or benzene units on the bay region of the terrylene diimide core. The optical and electrochemical properties of the two compounds were investigated. These CETDIs exhibited broad absorption spectra with high extinction coefficients, which span a wide range in the ultraviolet and visible spectrum from 300 to 700 nm. Furthermore, the redox process of the CETDIs increased from two waves to four waves, and the lowest unoccupied molecular orbital (LUMO) levels were enhanced from -4.00 to -3.59 eV.

  DOI：

  10.1021/ol202775b

文献信息

• Core-Extended Terrylene Diimide on the Bay Region: Synthesis and Optical and Electrochemical Properties
  作者：Qianqian Bai、Baoxiang Gao、Qi Ai、Yonggang Wu、Xinwu Ba

  DOI：10.1021/ol202775b

  日期：2011.12.16

  Two novel core-extended terrylene diimides on the bay region (CETDIs) were synthesized via annulation of the four additional ethylene units or benzene units on the bay region of the terrylene diimide core. The optical and electrochemical properties of the two compounds were investigated. These CETDIs exhibited broad absorption spectra with high extinction coefficients, which span a wide range in the ultraviolet and visible spectrum from 300 to 700 nm. Furthermore, the redox process of the CETDIs increased from two waves to four waves, and the lowest unoccupied molecular orbital (LUMO) levels were enhanced from -4.00 to -3.59 eV.