12,24,27,39-Tetrakis-decyl-18,33-bis[2,6-di(propan-2-yl)phenyl]-18,33-diazatetradecacyclo[29.11.1.18,16.02,29.03,26.04,41.05,10.06,25.07,22.09,14.011,40.035,43.037,42.020,44]tetratetraconta-1(43),2,4,6,8(44),9,11,13,15,20,22,24,26,28,30,35,37,39,41-nonadecaene-17,19,32,34-tetrone | 1350720-03-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 12,24,27,39-Tetrakis-decyl-18,33-bis[2,6-di(propan-2-yl)phenyl]-18,33-diazatetradecacyclo[29.11.1.18,16.02,29.03,26.04,41.05,10.06,25.07,22.09,14.011,40.035,43.037,42.020,44]tetratetraconta-1(43),2,4,6,8(44),9,11,13,15,20,22,24,26,28,30,35,37,39,41-nonadecaene-17,19,32,34-tetrone
• CAS: 1350720-03-4
• 化学式: C₁₀₆H₁₂₆N₂O₄
• 分子量: 1492.18
• InChiKey: QCWIAFGFAAWKQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  37.9
• 重原子数：
  112
• 可旋转键数：
  42
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.49
• 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 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以101 mg的产率得到12,24,27,39-Tetrakis-decyl-18,33-bis[2,6-di(propan-2-yl)phenyl]-18,33-diazatetradecacyclo[29.11.1.18,16.02,29.03,26.04,41.05,10.06,25.07,22.09,14.011,40.035,43.037,42.020,44]tetratetraconta-1(43),2,4,6,8(44),9,11,13,15,20,22,24,26,28,30,35,37,39,41-nonadecaene-17,19,32,34-tetrone
  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