4-(5-(7,12-bis(5-((4-(diphenylamino)phenyl)ethynyl)thiophen-2-yl)-5,5,10,10,15,15-hexahexyl-10,15-dihydro-5H-diindeno[1,2-a:1',2'-c]fluoren-2-yl)thiophen-2-yl)-2-methylbut-3-yn-2-ol | 1067243-85-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-(5-(7,12-bis(5-((4-(diphenylamino)phenyl)ethynyl)thiophen-2-yl)-5,5,10,10,15,15-hexahexyl-10,15-dihydro-5H-diindeno[1,2-a:1',2'-c]fluoren-2-yl)thiophen-2-yl)-2-methylbut-3-yn-2-ol
• CAS: 1067243-85-9
• 化学式: C₁₂₀H₁₂₈N₂OS₃
• 分子量: 1710.55
• InChiKey: NLLYRQXUUPIFGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  35.36
• 重原子数：
  126.0
• 可旋转键数：
  39.0
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  26.71
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  4-(5-(7,12-bis(5-((4-(diphenylamino)phenyl)ethynyl)thiophen-2-yl)-5,5,10,10,15,15-hexahexyl-10,15-dihydro-5H-diindeno[1,2-a:1',2'-c]fluoren-2-yl)thiophen-2-yl)-2-methylbut-3-yn-2-ol 在 氢氧化钾 、 水 、 氯化铵 作用下， 以 甲苯 为溶剂， 反应 0.5h， 以76%的产率得到4-[2-[5-[15-(5-ethynylthiophen-2-yl)-9,9,18,18,27,27-hexahexyl-24-[5-[2-[4-(N-phenylanilino)phenyl]ethynyl]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]thiophen-2-yl]ethynyl]-N,N-diphenylaniline
  参考文献：
  名称：

  Energy Transfer in New D-π-A Conjugated Dendrimers: Their Synthesis and Photophysical Properties

  摘要：

  A series of new D-pi-A conjugated dendrimers based on benzothiadiazole and triphenylamine were developed via facile synthetic approaches. By changing the types of bridges between the different functional moieties of these dendrimers, their photophysical properties, especially the intramolecular energy transfer process, were effectively modulated.

  DOI：

  10.1021/ol801671w
• 作为产物：
  描述：

  4-(5-(5,5,10,10,15,15-hexahexyl-7,12-bis(5-iodothiophen-2-yl)-10,15-dihydro-5H-diindeno[1,2-a:1',2'-c]fluoren-2-yl)thiophen-2-yl)-2-methylbut-3-yn-2-ol 、 4-乙炔基三苯胺 在 tris-(dibenzylideneacetone)dipalladium(0) 、 copper(l) iodide 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 以82%的产率得到4-(5-(7,12-bis(5-((4-(diphenylamino)phenyl)ethynyl)thiophen-2-yl)-5,5,10,10,15,15-hexahexyl-10,15-dihydro-5H-diindeno[1,2-a:1',2'-c]fluoren-2-yl)thiophen-2-yl)-2-methylbut-3-yn-2-ol
  参考文献：
  名称：

  Energy Transfer in New D-π-A Conjugated Dendrimers: Their Synthesis and Photophysical Properties

  摘要：

  A series of new D-pi-A conjugated dendrimers based on benzothiadiazole and triphenylamine were developed via facile synthetic approaches. By changing the types of bridges between the different functional moieties of these dendrimers, their photophysical properties, especially the intramolecular energy transfer process, were effectively modulated.

  DOI：

  10.1021/ol801671w