9,9'-（4,4'-磺酰基双（4,1-亚苯基））双（3,6-二叔丁基-9H-咔唑） | 1396165-20-0

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: 9,9'-（4,4'-磺酰基双（4,1-亚苯基））双（3,6-二叔丁基-9H-咔唑）
• 英文名称: bis(4-(3,6-di-tert-butylcarbazole)phenyl)sulfone
• 英文别名: 9,9'-(4,4'-sulfonylbis(4,1-phenylene))bis(3,6-di-tert-butyl-9H-carbazole)；3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]sulfonylphenyl]carbazole
• CAS: 1396165-20-0
• 化学式: C₅₂H₅₆N₂O₂S
• 分子量: 773.095
• InChiKey: BYVDHRISGUVOPW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.6
• 重原子数：
  57
• 可旋转键数：
  8
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  52.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4,4-二溴二苯基二硫化物 在 N,N-二甲基丙烯基脲 、 18-冠醚-6 、 双氧水 、 potassium carbonate 、 溶剂黄146 作用下， 反应 48.17h， 生成 9,9'-（4,4'-磺酰基双（4,1-亚苯基））双（3,6-二叔丁基-9H-咔唑）
  参考文献：
  名称：

  Thermally activated delayed fluorescence materials based on 3,6-di-tert-butyl-9-((phenylsulfonyl)phenyl)-9H-carbazoles

  摘要：

  A series of bipolar materials for thermally activated delayed fluorescence based on 3,6-di-tert-butyl-9-((phenylsulfonyl)phenyl)-9H-carbazoles, is synthesized by Ulmann coupling reactions. In these materials, the 3,6-di-tert-butylcarbazole group is linked at the 3-, 4- position or 3'-, 4'- position of diphenyl sulfone. The effects of the conjugation connectivity on the electronic, photophysical and electrochemical properties of these materials, are studied by extensive UV-vis, fluorescence spectroscopic measurements, cyclic voltammetry and theoretical calculations as well as X-ray crystallographic analysis. The energy gap between singlet and triplet in these materials is tuned from 0.39 eV to 0.22 eV by manipulation of conjugation of the electron donor units. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2014.06.008

文献信息

• HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME
  申请人：Samsung Display Co., Ltd.

  公开号：US20190019965A1

  公开（公告）日：2019-01-17

  A heterocyclic compound represented by the following Formula 1 and an organic electroluminescence device including the same are provided. In Formula 1, X 1 and X 2 are each independently represented by any one of the following Formulae 2 to 4:

  提供了一种由下式1表示的杂环化合物，以及包括该化合物的有机电致发光器件。 在式1中，X1和X2分别独立地以下列式2至4的任一式表示：
• Design of Efficient Thermally Activated Delayed Fluorescence Materials for Pure Blue Organic Light Emitting Diodes
  作者：Qisheng Zhang、Jie Li、Katsuyuki Shizu、Shuping Huang、Shuzo Hirata、Hiroshi Miyazaki、Chihaya Adachi

  DOI：10.1021/ja306538w

  日期：2012.9.12

  Efficient thermally activated delayed fluorescence (TADF) has been characterized for a carbazole/sulfone derivative in both solutions and doped films. A pure blue organic light emitting diode (OLED) based on this compound demonstrates a very high external quantum efficiency (EQE) of nearly 10% at low current density. Because TADF only occurs in a bipolar system where donor and acceptor centered (3)ππ*

  咔唑/砜衍生物在溶液和掺杂薄膜中都具有高效的热激活延迟荧光 (TADF) 的特征。基于该化合物的纯蓝色有机发光二极管 (OLED) 在低电流密度下表现出非常高的外量子效率 (EQE)，接近 10%。由于 TADF 仅发生在以供体和受体为中心的 (3)ππ* 状态接近或高于三重分子内电荷转移 ((3)CT) 状态的双极系统中，因此控制供体和受体的 π 共轭长度被认为与在蓝色 TADF 材料设计中打破它们之间的 π 共轭一样重要。
• Deep-blue thermally activated delayed fluorescence dendrimers with reduced singlet-triplet energy gap for low roll-off non-doped solution-processed organic light-emitting diodes
  作者：Jie Li、Xiaoqing Liao、Huixia Xu、Lu Li、Jie Zhang、Hua Wang、Bingshe Xu

  DOI：10.1016/j.dyepig.2017.01.036

  日期：2017.5

  Compared with the reported small molecular TADF emitter bis[4-(3,6-di-tert-butylcarbazole)phenyl]sulfone (G1), dendrimers G2 and G3 inherited the blue light emission but exhibited a reduced singlet-triplet energy gap (ΔEST) with increasing the dendron generation. The efficient triplet-to-singlet (T1-to-S1) transition processes, excellent thermal and amorphous stabilities, good solution processability

  开发了两种由二苯砜核和寡咔唑树枝状分子组成的TADF树枝状聚合物。与报道的小分子TADF发射体双[4-（3,6-二叔丁基咔唑）苯基]砜（G1）相比，树枝状聚合物G2和G3继承了蓝色发光，但单线态-三重态的能隙减小（Δ E ST），并增加树突的产生。高效的三重态到单重态（T 1到S 1）过渡过程，出色的热稳定性和非晶态稳定性，良好的溶液可加工性以及适当的HOMO / LUMO能级，这些树枝状聚合物可以用作溶液的非掺杂发射层。 OLED。的G2器件实现了深蓝光，其发射峰在428 nm处，CIE坐标在（0.15，0.12），并且在高电流密度下效率较低。
• ORGANOMETALLIC COMPLEX AND APPLICATION THEREOF IN ELECTRONIC DEVICES
  申请人：GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD.

  公开号：US20190241590A1

  公开（公告）日：2019-08-08

  Disclosed are an organometallic complex comprising a new six-membered N-heterocyclic ligand, and an application thereof in an organic electronic device, especially in a phosphorescent organic light-emitting diode. The present invention further relates to an organic electronic device comprising the organometallic complex according to the present invention, especially an organic light-emitting diode, and an application thereof in display and illumination technology. In the present invention, the device structure is optimized and the concentration of the metal complex in the substrate is changed, so that the device achieves the optimal performance, and an OLED device having high efficiency, high luminance and high stability is achieved, thereby providing a better choice of materials for full-colour display and illumination application.

  揭示了一种含有新的六元N-杂环配体的有机金属络合物，以及其在有机电子器件中的应用，特别是在磷光有机发光二极管中的应用。本发明还涉及一种含有根据本发明的有机金属络合物的有机电子器件，特别是有机发光二极管，以及其在显示和照明技术中的应用。在本发明中，优化了器件结构并改变了基板中金属络合物的浓度，使得器件实现了最佳性能，并实现了具有高效率、高亮度和高稳定性的OLED器件，从而为全彩显示和照明应用提供了更好的材料选择。
• FUSED RING COMPOUND, HIGH POLYMER, MIXTURE, COMPOSITION, AND ORGANIC ELECTRONIC COMPONENT
  申请人：GUANGZHOU CHINARAY OPTELECTRONIC MATERIALS LTD.

  公开号：US20190330152A1

  公开（公告）日：2019-10-31

  Disclosed in the present invention are a fused ring compound and applications thereof in organic electronic components, particularly in organic electroluminescent diodes. Also disclosed in the present invention are an organic electronic component comprising the fused ring compound, and applications thereof in organic electroluminescent diodes and in display and lighting technologies. Further disclosed in the present invention are a formulation comprising the fused ring compound, and applications thereof in the preparation of organic electronic components. By optimizing the component structure, good component performance can be achieved, and especially a high-performance OLED component can be implemented, which provide good material and preparation technology choices for full-color display and lighting applications.

  本发明公开了一种融合环化合物及其在有机电子元件中的应用，特别是在有机电致发光二极管中的应用。本发明还公开了一种包括融合环化合物的有机电子元件，以及其在有机电致发光二极管、显示和照明技术中的应用。本发明还公开了一种包括融合环化合物的配方，并在有机电子元件制备中的应用。通过优化元件结构，可以实现良好的元件性能，特别是可以实现高性能的OLED元件，为全彩显示和照明应用提供了良好的材料和制备技术选择。