| 1402154-91-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• CAS: 1402154-91-9
• 化学式: C₄₈H₄₄N₂O₃
• 分子量: 696.889
• InChiKey: WNBGDGDXSJCVHL-UHFFFAOYSA-N

物化性质

• 沸点：
  823.5±65.0 °C(predicted)
• 密度：
  1.169±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  12.84
• 重原子数：
  53.0
• 可旋转键数：
  9.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  77.47
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  4-(bis(4'-tert-butylbiphenyl-4-yl)amino)benzaldehyde 在 哌啶 、 sodium tetrahydroborate 、 potassium tert-butylate 、 碘 、 三氯氧磷 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 2.75h， 生成
  参考文献：
  名称：

  New efficient dyes containing tert-butyl in donor for dye-sensitized solar cells

  摘要：

  A series of D-pi-A organic sensitizers that contains two 4-tert-butylbenzene moieties in the donor part of triphenylamine group are designed and characterized. All these dyes comprise the same donor and acceptor units while the different aromatic units are introduced as linkers between the donor and acceptor units. It is found that the tuning of the HOMO and LUMO energy level can be conveniently achieved by alternating the conjugate bridge. The DSSCs based on LI-17 show the best light to electricity conversion efficiency of 5.35% (J(sc) = 12.65 mA cm(-2), V-oc = 675 mV, ff = 0.63) under standard global AM 1.5 solar light conditions (100 mW cm(-2)), indicating that the introduction of tert-butyl groups may be able to play an anti-aggregation effect. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2012.03.027