7-t-butyl-5,5,9,9-tetra-p-tolyl-13b-aza-naphtho-[3,2,1-de]anthracene | 1166366-92-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 7-t-butyl-5,5,9,9-tetra-p-tolyl-13b-aza-naphtho-[3,2,1-de]anthracene
• 英文别名: 7-t-butyl-5,5,9,9-tetra-p-tolyl-13b-aza-naphtho[3.2.1-de]anthracene
• CAS: 1166366-92-2
• 化学式: C₅₂H₄₇N
• 分子量: 685.952
• InChiKey: KTSGKLBIWXKLFF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.08
• 重原子数：
  53.0
• 可旋转键数：
  4.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  3.24
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  7-t-butyl-5,5,9,9-tetra-p-tolyl-13b-aza-naphtho-[3,2,1-de]anthracene 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 N-溴代丁二酰亚胺(NBS) 、 四(三苯基膦)钯 、 potassium acetate 、 potassium carbonate 、 三苯基膦 作用下， 以 四氢呋喃 、 氯仿 、 水 、 邻二氯苯 、 甲苯 为溶剂， 反应 92.0h， 生成
  参考文献：
  名称：

  이형고리 화합물 및 이를 포함하는 유기전계발광소자

  摘要：

  This is the translation of the text you provided: This invention relates to a heterocyclic compound represented by the following [Chemical Formula 1] and an organic electroluminescent device including the same. The organic electroluminescent device according to the present invention exhibits excellent light-emitting characteristics such as driving voltage, lifespan, and efficiency. [Chemical Formula 1]

  公开号：

  KR102147425B1
• 作为产物：
  描述：

  在 盐酸 、 溶剂黄146 作用下， 以 水 为溶剂， 反应 3.0h， 以70.6%的产率得到7-t-butyl-5,5,9,9-tetra-p-tolyl-13b-aza-naphtho-[3,2,1-de]anthracene
  参考文献：
  名称：

  이형고리 화합물 및 이를 포함하는 유기전계발광소자

  摘要：

  This is the translation of the text you provided: This invention relates to a heterocyclic compound represented by the following [Chemical Formula 1] and an organic electroluminescent device including the same. The organic electroluminescent device according to the present invention exhibits excellent light-emitting characteristics such as driving voltage, lifespan, and efficiency. [Chemical Formula 1]

  公开号：

  KR102147425B1

文献信息

• Diarylmethylene-bridged triphenylamine derivatives encapsulated with fluorene: very high Tg host materials for efficient blue and green phosphorescent OLEDs
  作者：Cong Fan、Yonghua Chen、Zuoquan Jiang、Chuluo Yang、Cheng Zhong、Jingui Qin、Dongge Ma

  DOI：10.1039/b927576b

  日期：——

  Two bridged triphenylamine/fluorene hybrids, BTPAF1 and BTPAF2, were designed and synthesized through Friedel–Crafts reaction. Their thermal, electrochemical, electronic absorption and photoluminescent properties were fully investigated. Very high glass transition temperatures (Tg) were observed at 204 °C for BTPAF1 and 211 °C for BTPAF2, owing to the introduction of rigid fluorene and bridged triphenylamine unit. The encapsulation of a fluorene unit at the para positions of bridged triphenylamine greatly enhances their electrochemical stability. The linkage by the quaternary carbon atom of the fluorene moiety (C-9) effectively prevents the extension of π-conjugation of the bridged triphenylamine core, and consequently means that the compounds have a high triplet energy of 2.86 eV. Phosphorescent organic light-emitting devices (PHOLEDs) fabricated by using the two compounds as the hosts and the blue emitter bis[2-(4′,6′-difluorophenyl)pyridinato-N,C2′]iridium(III) picolate (FIrpic) as the guest exhibit good EL performances with a maximum current efficiency of 20 cd A−1, a maximum power efficiency of 14 lm W−1, and a maximum external quantum efficiency of 9.4%. Green electrophosphorescent devices by using green-emitter iridium(III) fac-tris(2-phenylpyridine) [Ir(ppy)3] as guest and the two new compounds as the hosts display excellent EL performances with a maximum current efficiency of 75 cd A−1, a maximum power efficiency of 60 lm W−1, and a maximum external quantum efficiency of 19.5%. The device figures of merit, together with the excellent morphological and electrochemical stabilities, make the new compounds ideal host materials for PHOLEDs, especially for high-temperature applications of devices.

  通过 Friedel-Crafts 反应，设计并合成了两种桥联三苯胺/芴杂化物 BTPAF1 和 BTPAF2。研究人员全面考察了它们的热学、电化学、电子吸收和光致发光特性。由于引入了刚性芴和桥接三苯胺单元，BTPAF1 和 BTPAF2 的玻璃化转变温度（Tg）分别高达 204 ℃ 和 211 ℃。在桥联三苯胺的对位上封装芴单元大大提高了其电化学稳定性。芴分子（C-9）的季碳原子连接有效地防止了桥接三苯胺核心的π-共轭延伸，从而使化合物具有 2.86 eV 的高三重态能量。以这两种化合物为宿主，以蓝色发光体双[2-(4′,6′-二氟苯基)吡啶-N,C2′]吡啶铱(III)（FIrpic）为客体制作的磷光有机发光器件（PHOLED）具有良好的电致发光性能，最大电流效率为 20 cd A-1，最大功率效率为 14 lm W-1，最大外部量子效率为 9.4%。以绿色发射极三（2-苯基吡啶）铱（III）面[Ir(PY)3]为客体，以这两种新化合物为宿主的绿色电致发光器件具有出色的电致发光性能，最大电流效率为 75 cd A-1，最大功率效率为 60 lm W-1，最大外部量子效率为 19.5%。这些优异的器件性能，以及出色的形态稳定性和电化学稳定性，使新化合物成为 PHOLED 理想的宿主材料，尤其适用于器件的高温应用。
• Bridged triphenylamines as novel host materials for highly efficient blue and green phosphorescent OLEDs
  作者：Zuoquan Jiang、Yonghua Chen、Cong Fan、Chuluo Yang、Qi Wang、Youtian Tao、Zhiqiang Zhang、Jingui Qin、Dongge Ma

  DOI：10.1039/b902950h

  日期：——

  Two bridged triphenylamine–triphenylsilane (BTPASi) hybrids have been designed as host materials for phosphorescent OLEDs; devices with the novel host materials achieve maximum external quantum efficiencies as high as 15.4% for blue and 19.7% for green electrophosphorescence.

  两种桥联三苯胺-三苯基硅烷 (BTPASi) 杂化物被设计为磷光 OLED 的主体材料；采用新型基质材料的器件的蓝色电致磷光和绿色电致磷光的最大外量子效率分别高达 15.4% 和 19.7%。