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 | 1502834-29-8

• 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)-anthanthrene-6,12-diamine
• 英文别名: 4-[5-[18-[5-(2,5-Dioctyl-3,6-dioxo-1-thiophen-2-ylpyrrolo[3,4-c]pyrrol-4-yl)thiophen-2-yl]-12,22-bis(4-octylanilino)-9-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenyl]thiophen-2-yl]-2,5-dioctyl-1-thiophen-2-ylpyrrolo[3,4-c]pyrrole-3,6-dione；4-[5-[18-[5-(2,5-dioctyl-3,6-dioxo-1-thiophen-2-ylpyrrolo[3,4-c]pyrrol-4-yl)thiophen-2-yl]-12,22-bis(4-octylanilino)-9-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenyl]thiophen-2-yl]-2,5-dioctyl-1-thiophen-2-ylpyrrolo[3,4-c]pyrrole-3,6-dione
• CAS: 1502834-29-8
• 化学式: C₁₁₀H₁₃₀N₆O₄S₄
• 分子量: 1728.54
• InChiKey: KWUTUURFCYVFCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  34.5
• 重原子数：
  124
• 可旋转键数：
  52
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  218
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  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

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.