2-[3-(3-Dibenzothiophen-4-ylphenyl)phenyl]-6-(2-methylphenyl)benzenethiol

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[3-(3-Dibenzothiophen-4-ylphenyl)phenyl]-6-(2-methylphenyl)benzenethiol
• 英文别名: 2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(2-methylphenyl)benzenethiol
• 化学式: C₃₇H₂₆S₂
• 分子量: 534.7
• InChiKey: ZRLLZEANICOJSQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.3
• 重原子数：
  39
• 可旋转键数：
  4
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  29.2
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES
  申请人：Universal Display Corporation

  公开号：US20150137096A1

  公开（公告）日：2015-05-21

  According to one embodiment, a compound comprising a ligand L A of Formula I is described. In the structure of Formula I, A 1 through A 8 are independently carbon or nitrogen, with at least one being nitrogen; X 1 is selected from the group consisting of O, S, and Se; X 2 and X 3 are independently selected from the group consisting of C, N, O, P, and S; ring A is a 5- or 6-membered heterocyclic ring bonded to ring B through a X 2 —C bond and bonded to M through a metal-carbene bond; any adjacent substitutions in R 1 and R 2 are optionally linked together to form a ring; the ligand L A is coordinated to a metal M; and the ligand L A is optionally linked with other ligands to comprise up to a hexadentate ligand. Formulations and devices, such as an OLEDs, that include the compound comprising ligand L A of formula I are also described.

  根据一种实施例，描述了一种包含配体LA的化合物，其具有公式I中的配体LA。在公式I的结构中，A1到A8独立地是碳或氮，其中至少有一个是氮；X1选择自O、S和Se组成的群；X2和X3独立地选择自C、N、O、P和S组成的群；环A是通过X2-C键与环B连接，通过金属卡宾键与M连接的5-或6成员杂环；R1和R2中的任何相邻取代基可选择地连接在一起形成环；配体LA与金属M配位；并且配体LA可选择地与其他配体连接以形成高达六齿配体。还描述了包括公式I中配体LA的化合物的制剂和设备，例如OLEDs。