4-[(E)-2-[5-[9,9,18,18,27,27-hexahexyl-15,24-bis[4-hexyl-5-[(E)-2-[5-[4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]ethenyl]thiophen-2-yl]-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-3-hexylthiophen-2-yl]ethenyl]-N,N-diphenylaniline | 1119633-31-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-[(E)-2-[5-[9,9,18,18,27,27-hexahexyl-15,24-bis[4-hexyl-5-[(E)-2-[5-[4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]ethenyl]thiophen-2-yl]-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-3-hexylthiophen-2-yl]ethenyl]-N,N-diphenylaniline
• CAS: 1119633-31-6
• 化学式: C₁₆₅H₁₉₁N₅S₁₁
• 分子量: 2597.09
• InChiKey: WJXQAHMUDPPTQG-GXJFFVAZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  62.3
• 重原子数：
  181
• 可旋转键数：
  73
• 环数：
  23.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  365
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  、 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 以63%的产率得到4-[(E)-2-[5-[9,9,18,18,27,27-hexahexyl-15,24-bis[4-hexyl-5-[(E)-2-[5-[4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]ethenyl]thiophen-2-yl]-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-3-hexylthiophen-2-yl]ethenyl]-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