4,10-(2,5-dioctyl-3,6-bis(thiophen-2-yl)pyrrolo[3,4-c]-pyrrole-1,4(2H,5H)-dione)-N⁶,N¹²-bis(4-octylphenyl)-N⁶,N¹²-bis-(tert-butyl carbamate)anthanthrene-6,12-diamine | 1502834-21-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 4,10-(2,5-dioctyl-3,6-bis(thiophen-2-yl)pyrrolo[3,4-c]-pyrrole-1,4(2H,5H)-dione)-N⁶,N¹²-bis(4-octylphenyl)-N⁶,N¹²-bis-(tert-butyl carbamate)anthanthrene-6,12-diamine
• CAS: 1502834-21-0
• 化学式: C₁₂₀H₁₄₆N₆O₈S₄
• 分子量: 1928.78
• InChiKey: ZOIOLGAOCVTULF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  34.92
• 重原子数：
  138.0
• 可旋转键数：
  52.0
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  140.32
• 氢给体数：
  0.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  4,10-(2,5-dioctyl-3,6-bis(thiophen-2-yl)pyrrolo[3,4-c]-pyrrole-1,4(2H,5H)-dione)-N⁶,N¹²-bis(4-octylphenyl)-N⁶,N¹²-bis-(tert-butyl carbamate)anthanthrene-6,12-diamine 以 neat (no solvent) 为溶剂， 反应 0.5h， 以88%的产率得到4,10-(2,5-dioctyl-3,6-bis(thiophen-2-yl)pyrrolo[3,4-c]-pyrrole-1,4(2H,5H)-dione)-N⁶,N¹²-bis(4-octylphenyl)-anthanthrene-6,12-diamine
  参考文献：
  名称：

  Synthesis and Optoelectronic Properties of 6,12-Bis(amino)anthanthrene Derivatives

  摘要：

  A series of 6,12-bis(amino) anthanthrene-based conjugated molecules were prepared and characterized using UV-vis and fluorescence spectroscopy and cyclic voltammetry. The absorption spectra and redox potentials of these molecules can be modulated by changing the conjugated moieties linked at the 4 and 10 positions. Moreover, the optoelectronic properties of these derivatives strongly depend on the moieties attached to the nitrogen atoms at the 6 and 12 positions.

  DOI：

  10.1021/jo402313c
• 作为产物：
  描述：

  3-(5-溴噻吩-2-基)-2,5-二辛基-6-(噻吩-2-基)吡咯并[3,4-c]吡咯-1,4(2H,5H)-二酮 、 4,10-bis(pinacolatoboronic ester)-N⁶,N¹²-bis(4-octylphenyl)-N⁶,N¹²-bis(tert-butyl carbamate)anthanthrene-6,12-diamine 在 bis-triphenylphosphine-palladium(II) chloride 、 四丁基溴化铵 、 potassium carbonate 作用下， 以 水 、 甲苯 为溶剂， 生成 4,10-(2,5-dioctyl-3,6-bis(thiophen-2-yl)pyrrolo[3,4-c]-pyrrole-1,4(2H,5H)-dione)-N⁶,N¹²-bis(4-octylphenyl)-N⁶,N¹²-bis-(tert-butyl carbamate)anthanthrene-6,12-diamine
  参考文献：
  名称：

  Synthesis and Optoelectronic Properties of 6,12-Bis(amino)anthanthrene Derivatives

  摘要：

  A series of 6,12-bis(amino) anthanthrene-based conjugated molecules were prepared and characterized using UV-vis and fluorescence spectroscopy and cyclic voltammetry. The absorption spectra and redox potentials of these molecules can be modulated by changing the conjugated moieties linked at the 4 and 10 positions. Moreover, the optoelectronic properties of these derivatives strongly depend on the moieties attached to the nitrogen atoms at the 6 and 12 positions.

  DOI：

  10.1021/jo402313c