4-butyl-N-[4-[7-[4-(4-butyl-N-(4-butylphenyl)anilino)phenyl]-5,5-dioxodibenzothiophen-3-yl]phenyl]-N-(4-butylphenyl)aniline | 1246439-44-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-butyl-N-[4-[7-[4-(4-butyl-N-(4-butylphenyl)anilino)phenyl]-5,5-dioxodibenzothiophen-3-yl]phenyl]-N-(4-butylphenyl)aniline
• CAS: 1246439-44-0
• 化学式: C₆₄H₆₆N₂O₂S
• 分子量: 927.306
• InChiKey: BGBWVFRRVKBMKZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.7
• 重原子数：
  69
• 可旋转键数：
  20
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  49
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzo[b,d]thiophene 5,5-dioxide 、 4-溴-N,N-双(4-丁基苯基)-苯胺 在 bis-triphenylphosphine-palladium(II) chloride 、 potassium carbonate 作用下， 以 水 、 甲苯 为溶剂， 以33%的产率得到4-butyl-N-[4-[7-[4-(4-butyl-N-(4-butylphenyl)anilino)phenyl]-5,5-dioxodibenzothiophen-3-yl]phenyl]-N-(4-butylphenyl)aniline
  参考文献：
  名称：

  Tuning the Intramolecular Charge Transfer Emission from Deep Blue to Green in Ambipolar Systems Based on Dibenzothiophene S,S-Dioxide by Manipulation of Conjugation and Strength of the Electron Donor Units

  摘要：

  The efficient synthesis and photophysical propel ties of a series of ambipolar donor acceptor donor Systems is described where the acceptor is dibenzothrophene S,S-dioxide and the donor is fluorene, carbazole or arylamine The systems exhibit intramolecular charge transfer (ICT) states (available ICT character strengths)}editing to fluorescence emission ranging from deep blue to green with model ate to high photoluminescence quantum yields The emission properties can be effectively tuned by systematically changing die position of substitution on both donor and acceptor units (which affects the extent of conjugation) and the redox potentials of the donor units The results are supported by cyclic voltammetric data and TD-DFT calculations

  DOI：

  10.1021/jo100898a

文献信息

• Tuning the Intramolecular Charge Transfer Emission from Deep Blue to Green in Ambipolar Systems Based on Dibenzothiophene <i>S</i>,<i>S</i>-Dioxide by Manipulation of Conjugation and Strength of the Electron Donor Units
  作者：Kathryn C. Moss、Konstantinos N. Bourdakos、Vandana Bhalla、Kiran T. Kamtekar、Martin R. Bryce、Mark A. Fox、Helen L. Vaughan、Fernando B. Dias、Andrew P. Monkman

  DOI：10.1021/jo100898a

  日期：2010.10.15

  The efficient synthesis and photophysical propel ties of a series of ambipolar donor acceptor donor Systems is described where the acceptor is dibenzothrophene S,S-dioxide and the donor is fluorene, carbazole or arylamine The systems exhibit intramolecular charge transfer (ICT) states (available ICT character strengths)}editing to fluorescence emission ranging from deep blue to green with model ate to high photoluminescence quantum yields The emission properties can be effectively tuned by systematically changing die position of substitution on both donor and acceptor units (which affects the extent of conjugation) and the redox potentials of the donor units The results are supported by cyclic voltammetric data and TD-DFT calculations