9,10-Bis[2-[4-(didodecylamino)phenyl]ethynyl]pyrene-4,5-dione | 1453792-10-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 9,10-Bis[2-[4-(didodecylamino)phenyl]ethynyl]pyrene-4,5-dione
• 英文别名: 9,10-bis[2-[4-(didodecylamino)phenyl]ethynyl]pyrene-4,5-dione
• CAS: 1453792-10-3
• 化学式: C₈₀H₁₁₄N₂O₂
• 分子量: 1135.8
• InChiKey: BWUJFOXMUNTNGX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  30.1
• 重原子数：
  84
• 可旋转键数：
  50
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  C₉₂H₁₄₄N₂O₂Si₂ 在 四丁基氟化铵 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 以70%的产率得到9,10-Bis[2-[4-(didodecylamino)phenyl]ethynyl]pyrene-4,5-dione
  参考文献：
  名称：

  Tuning Light Absorption in Pyrene: Synthesis and Substitution Effects of Regioisomeric Donor–Acceptor Chromophores

  摘要：

  Three isomeric donor-acceptor (DA) chromophores based on pyrene were synthesized to study the effects of substitution pattern on intramolecular charge-transfer absorption through pyrene. These chromophores are nonfluorescent and absorb light in the long-wavelength region approaching 700 nm, making them promising light-harvesters. Their optical properties depend greatly on the substitution pattern of the donor, but their electrochemical properties are relatively unaffected.

  DOI：

  10.1021/ol402172x

文献信息

• Tuning Light Absorption in Pyrene: Synthesis and Substitution Effects of Regioisomeric Donor–Acceptor Chromophores
  作者：Samantha N. Keller、Nicole L. Veltri、Todd C. Sutherland

  DOI：10.1021/ol402172x

  日期：2013.9.20

  Three isomeric donor-acceptor (DA) chromophores based on pyrene were synthesized to study the effects of substitution pattern on intramolecular charge-transfer absorption through pyrene. These chromophores are nonfluorescent and absorb light in the long-wavelength region approaching 700 nm, making them promising light-harvesters. Their optical properties depend greatly on the substitution pattern of the donor, but their electrochemical properties are relatively unaffected.