9,9'-[6-(thiophen-2-yl)-1,3,5-triazine-2,4-diyl]bis(9H-carbazole) | 1229802-39-4

• 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
• 英文名称: 9,9'-[6-(thiophen-2-yl)-1,3,5-triazine-2,4-diyl]bis(9H-carbazole)
• 英文别名: 9-(4-Carbazol-9-yl-6-thiophen-2-yl-1,3,5-triazin-2-yl)carbazole；9-(4-carbazol-9-yl-6-thiophen-2-yl-1,3,5-triazin-2-yl)carbazole
• CAS: 1229802-39-4
• 化学式: C₃₁H₁₉N₅S
• 分子量: 493.591
• InChiKey: NCYQPCGMJXNZLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  37
• 可旋转键数：
  3
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  76.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,4-dichloro-6-(thiophen-2-yl)-1,3,5-triazine 、 咔唑 在 正丁基锂 、 四(三苯基膦)钯 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以72%的产率得到9,9'-[6-(thiophen-2-yl)-1,3,5-triazine-2,4-diyl]bis(9H-carbazole)
  参考文献：
  名称：

  Conjugated Asymmetric Donor-Substituted 1,3,5-Triazines: New Host Materials for Blue Phosphorescent Organic Light-Emitting Diodes

  摘要：

  AbstractConjugated asymmetric donor‐substituted 1,3,5‐triazines (ADTs) have been synthesized by nucleophilic substitution of organolithium catalyzed by [Pd(PPh3)4]. Theoretical and experimental investigations show that ADTs possess high solubility and thermostability, high fluorescent quantum yield (35 %), low HOMO (−6.0 eV) and LUMO (−2.8 eV), and high triplet energy (ET, 3.0 eV) according to the different substitution pattern of triazine. The application as host materials for blue PHOLEDs yielded a maximum current efficiency of 20.9 cd A−1, a maximum external quantum efficiency of 9.8 %, and a brightness of 9671 cd m−2 at 5.4 V, making ADTs good candidates for optoelectronic devices.

  DOI：

  10.1002/chem.201101118

文献信息

• ORGANIC ELECTROLUMINESCENCE DEVICE
  申请人：Samsung Display Co., Ltd.

  公开号：US20220123246A1

  公开（公告）日：2022-04-21

  An organic electroluminescence device according to an embodiment includes a first electrode, a hole transport region disposed on the first electrode, an exciton diffusion layer disposed on the hole transport region and including a first host represented by Formula 1, an emission layer disposed on the exciton diffusion layer and including a second host, a third host, and a phosphorescent dopant, an electron transport region disposed on the emission layer, and a second electrode disposed on the electron transport region. The organic electroluminescence device exhibits high efficiency and a long service life.