5,5',5''-(5,5,10,10,15,15-hexahexyl-10,15-dihydro-5H-diindeno[1,2-a:1',2'-c]fluorene-2,7,12-triyl)tris(3-hexylthiophene-2-carbaldehyde) | 1119633-03-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 5,5',5''-(5,5,10,10,15,15-hexahexyl-10,15-dihydro-5H-diindeno[1,2-a:1',2'-c]fluorene-2,7,12-triyl)tris(3-hexylthiophene-2-carbaldehyde)
• CAS: 1119633-03-2
• 化学式: C₉₆H₁₃₂O₃S₃
• 分子量: 1430.3
• InChiKey: GXYJINRGPSUZBP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  31.3
• 重原子数：
  102.0
• 可旋转键数：
  51.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  51.21
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  5,5',5''-(5,5,10,10,15,15-hexahexyl-10,15-dihydro-5H-diindeno[1,2-a:1',2'-c]fluorene-2,7,12-triyl)tris(3-hexylthiophene-2-carbaldehyde) 、 P-[[4-(二苯基氨基)苯基]甲基]磷酸二乙酯 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 以81%的产率得到4,4',4''-((1E,1'E,1''E)-((5,5,10,10,15,15-hexahexyl-10,15-dihydro-5H-diindeno[1,2-a:1',2'-c]fluorene-2,7,12-triyl)tris(3-hexylthiophene-5,2-diyl))tris(ethene-2,1-diyl))tris(N,N-diphenylaniline)
  参考文献：
  名称：

  Star-Shaped D-π-A Conjugated Molecules: Synthesis and Broad Absorption Bands

  摘要：

  Two donor-acceptor hybrid star-shaped D-pi-A molecules were facilely developed. The absorption spectra of TrTD2A and TrT2DA, which almost covered the whole visible range, were tuned by changing the ratio of donor and acceptor groups. However, the PL quantum effieciencies of TrTD2A and TrT2DA in solutions were dramatically reduced after the introduction of benzothiadiazole unit as acceptor chromophore.

  DOI：

  10.1021/ol802845w
• 作为产物：
  描述：

  C₉₃H₁₃₂S₃ 、 N,N-二甲基甲酰胺 在 三氯氧磷 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 12.0h， 以92%的产率得到5,5',5''-(5,5,10,10,15,15-hexahexyl-10,15-dihydro-5H-diindeno[1,2-a:1',2'-c]fluorene-2,7,12-triyl)tris(3-hexylthiophene-2-carbaldehyde)
  参考文献：
  名称：

  Star-Shaped D-π-A Conjugated Molecules: Synthesis and Broad Absorption Bands

  摘要：

  Two donor-acceptor hybrid star-shaped D-pi-A molecules were facilely developed. The absorption spectra of TrTD2A and TrT2DA, which almost covered the whole visible range, were tuned by changing the ratio of donor and acceptor groups. However, the PL quantum effieciencies of TrTD2A and TrT2DA in solutions were dramatically reduced after the introduction of benzothiadiazole unit as acceptor chromophore.

  DOI：

  10.1021/ol802845w