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9,9-diethyl-N,N-diphenyl-7-(pyren-1-ylethynyl)-9H-fluoren-2-amine | 1369762-93-5

中文名称
——
中文别名
——
英文名称
9,9-diethyl-N,N-diphenyl-7-(pyren-1-ylethynyl)-9H-fluoren-2-amine
英文别名
9,9-diethyl-N,N-diphenyl-7-(2-pyren-1-ylethynyl)fluoren-2-amine
9,9-diethyl-N,N-diphenyl-7-(pyren-1-ylethynyl)-9H-fluoren-2-amine化学式
CAS
1369762-93-5
化学式
C47H35N
mdl
——
分子量
613.802
InChiKey
LKLKYJRLMOLZFV-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    13.9
  • 重原子数:
    48
  • 可旋转键数:
    7
  • 环数:
    9.0
  • sp3杂化的碳原子比例:
    0.11
  • 拓扑面积:
    3.2
  • 氢给体数:
    0
  • 氢受体数:
    1

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为产物:
    描述:
    1-溴芘9,9-diethyl-7-ethynyl-N,N-diphenyl-9H-fluoren-2-amine 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide三苯基膦 作用下, 以 三乙胺 为溶剂, 反应 24.0h, 以57%的产率得到9,9-diethyl-N,N-diphenyl-7-(pyren-1-ylethynyl)-9H-fluoren-2-amine
    参考文献:
    名称:
    Pyrene-Fluorene Hybrids Containing Acetylene Linkage as Color-Tunable Emitting Materials for Organic Light-Emitting Diodes
    摘要:
    New blue- to yellow-emitting materials have been developed by incorporating fluorene-based chromophores on pyrene core with acetylene linkage and using multifold palladium-catalyzed cross-coupling reactions. Both mono- and tetrasubstituted derivatives have been synthesized and characterized. The tetrasubstituted derivatives displayed red-shifted emission when compared to the monosubstituted derivative indicative of an extended conjugation in the former. End-capping with a diphenylamine unit further red-shifted the absorption and emission profiles and imparted a weak dipolar character to the molecules. Amine-containing derivatives displayed positive solvatochromism in the fluorescence spectra indicating a more polar excited state due to an efficient charge migration from the diphenylamine donor to the pyrene pi-acceptor. All of the derivatives were tested as emitting dopants with host material 4,4'-bis(9H-carbazol-9-yl)biphenyl (CBP) in a multilayered OLED and found to exhibit bright blue or yellow electroluminescence. The device utilizing 1,3,6,8-tetrasubstituted pyrene derivative as a dopant emitter displayed highest maximum luminescence 4630 cd/m(2) with power efficiency 3.8 lm/W and current efficiency 7.1 cd/A at 100 cd/m(2) attributable to the proper alignment of energy levels that led to the efficient harvesting of excitons. All of the devices exhibited color purity over a wide range of operating voltages.
    DOI:
    10.1021/jo300285v
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文献信息

  • Pyrene-Fluorene Hybrids Containing Acetylene Linkage as Color-Tunable Emitting Materials for Organic Light-Emitting Diodes
    作者:K. R. Justin Thomas、Neha Kapoor、M. N. K. Prasad Bolisetty、Jwo-Huei Jou、Yu-Lin Chen、Yung-Cheng Jou
    DOI:10.1021/jo300285v
    日期:2012.4.20
    New blue- to yellow-emitting materials have been developed by incorporating fluorene-based chromophores on pyrene core with acetylene linkage and using multifold palladium-catalyzed cross-coupling reactions. Both mono- and tetrasubstituted derivatives have been synthesized and characterized. The tetrasubstituted derivatives displayed red-shifted emission when compared to the monosubstituted derivative indicative of an extended conjugation in the former. End-capping with a diphenylamine unit further red-shifted the absorption and emission profiles and imparted a weak dipolar character to the molecules. Amine-containing derivatives displayed positive solvatochromism in the fluorescence spectra indicating a more polar excited state due to an efficient charge migration from the diphenylamine donor to the pyrene pi-acceptor. All of the derivatives were tested as emitting dopants with host material 4,4'-bis(9H-carbazol-9-yl)biphenyl (CBP) in a multilayered OLED and found to exhibit bright blue or yellow electroluminescence. The device utilizing 1,3,6,8-tetrasubstituted pyrene derivative as a dopant emitter displayed highest maximum luminescence 4630 cd/m(2) with power efficiency 3.8 lm/W and current efficiency 7.1 cd/A at 100 cd/m(2) attributable to the proper alignment of energy levels that led to the efficient harvesting of excitons. All of the devices exhibited color purity over a wide range of operating voltages.
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