4,10-bis(5-octylthiophen-2-yl)-N⁶,N¹²-bis(4-octylphenyl)-dihydroanthanthrene-6,12-diimine | 1502834-31-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 4,10-bis(5-octylthiophen-2-yl)-N⁶,N¹²-bis(4-octylphenyl)-dihydroanthanthrene-6,12-diimine
• 英文别名: 12-N,22-N-bis(4-octylphenyl)-9,18-bis(5-octylthiophen-2-yl)hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2,4,6,8,10,13,15,17,19-decaene-12,22-diimine
• CAS: 1502834-31-2
• 化学式: C₇₄H₈₈N₂S₂
• 分子量: 1069.66
• InChiKey: OKKIMZRKIZNRMD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  27.3
• 重原子数：
  78
• 可旋转键数：
  32
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  81.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4,10-bis(5-octyl-2-thienyl)anthanthrone 、 4-辛基苯胺 在 三乙烯二胺 、 四氯化钛 作用下， 以 邻二氯苯 为溶剂， 反应 3.17h， 以57%的产率得到4,10-bis(5-octylthiophen-2-yl)-N⁶,N¹²-bis(4-octylphenyl)-dihydroanthanthrene-6,12-diimine
  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

文献信息

• Synthesis and Optoelectronic Properties of 6,12-Bis(amino)anthanthrene Derivatives
  作者：Jean-Benoît Giguère、Jean-François Morin

  DOI：10.1021/jo402313c

  日期：2013.12.20

  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.