9,10-bis(9,9-diethyl-7-diphenylaminofluoren-2-yl)-anthracene | 1241960-31-5

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物 - 芳基萘木脂素
• 英文名称: 9,10-bis(9,9-diethyl-7-diphenylaminofluoren-2-yl)-anthracene
• 英文别名: BDDFA；7-[10-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]anthracen-9-yl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
• CAS: 1241960-31-5
• 化学式: C₇₂H₆₀N₂
• 分子量: 953.282
• InChiKey: ZKEVBRNSJBKRBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  21.3
• 重原子数：
  74
• 可旋转键数：
  12
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  蒽-9,10-二硼酸 、 7-bromo-9,9-diethyl-N,N-diphenyl-9H-fluoren-2-amine 在 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 48.0h， 以63%的产率得到9,10-bis(9,9-diethyl-7-diphenylaminofluoren-2-yl)-anthracene
  参考文献：
  名称：

  Synthesis and properties of blue-light-emitting anthracene derivative with diphenylamino-fluorene

  摘要：

  9,10-Bis-(9',9'-diethyl-7'-diphenylamino-fluoren-2-yl)-anthracene was synthesized from 9.10-anthracene diboronic acid and (7-bromo-9,9-diethyl-fluoren-2-yl)-diphenyl-amine in a Suzuki coupling reaction. A theoretical calculation of the three-dimensional structure suggests that it has a non-coplanar structure and inhibited intermolecular interactions. Upon excitation, the photoluminescence maximum of 9,10-bis(9',9'-diethyl-7'-diphenylamino-fluoren-2-yl)-anthracene in solution and film were at 454 nm (solution) and 462 nm (film). The full width at half maximum of 9,10-bis-(9',9-diethyl-7'-diphenylamino-fluoren-2yl)-anthracene is 54 nm regardless of whether it is in a solution or a solid state. A multi-layered device using 9,10-bis-(9',9'-diethyl-7'-diphenylamino-fluoren-2-yl)-anthracene as emitting material exhibits maximum quantum efficiency of 3.3% (power efficiency of 2.1 lm/W, current efficiency of 4.17 cd/A) and a blue Commission Internationale de l'Eclairage chromaticity coordinates (x = 0.14, y = 0.17). (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2009.10.009

文献信息

• Synthesis and properties of blue-light-emitting anthracene derivative with diphenylamino-fluorene
  作者：Jong-Won Park、Pengtao Kang、Hyuntae Park、Hyoung-Yun Oh、Jung-Hwan Yang、Yun-Hi Kim、Soon-Ki Kwon

  DOI：10.1016/j.dyepig.2009.10.009

  日期：2010.5

  9,10-Bis-(9',9'-diethyl-7'-diphenylamino-fluoren-2-yl)-anthracene was synthesized from 9.10-anthracene diboronic acid and (7-bromo-9,9-diethyl-fluoren-2-yl)-diphenyl-amine in a Suzuki coupling reaction. A theoretical calculation of the three-dimensional structure suggests that it has a non-coplanar structure and inhibited intermolecular interactions. Upon excitation, the photoluminescence maximum of 9,10-bis(9',9'-diethyl-7'-diphenylamino-fluoren-2-yl)-anthracene in solution and film were at 454 nm (solution) and 462 nm (film). The full width at half maximum of 9,10-bis-(9',9-diethyl-7'-diphenylamino-fluoren-2yl)-anthracene is 54 nm regardless of whether it is in a solution or a solid state. A multi-layered device using 9,10-bis-(9',9'-diethyl-7'-diphenylamino-fluoren-2-yl)-anthracene as emitting material exhibits maximum quantum efficiency of 3.3% (power efficiency of 2.1 lm/W, current efficiency of 4.17 cd/A) and a blue Commission Internationale de l'Eclairage chromaticity coordinates (x = 0.14, y = 0.17). (C) 2009 Elsevier Ltd. All rights reserved.