2,4,6-Tris(4,6-diphenylpyridin-2-yl)pyrimidine | 650606-83-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2,4,6-Tris(4,6-diphenylpyridin-2-yl)pyrimidine
• 英文别名: 2,4,6-tris(4,6-diphenylpyridin-2-yl)pyrimidine
• CAS: 650606-83-0
• 化学式: C₅₅H₃₇N₅
• 分子量: 767.9
• InChiKey: WLRGSHQETVYCQM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.9
• 重原子数：
  60
• 可旋转键数：
  9
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  64.4
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

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

  公开号：US20160254460A1

  公开（公告）日：2016-09-01

  A compound having a carbene ligand L A of Formula I: is disclosed wherein ring A is a 5-membered or 6-membered carbocyclic or heterocyclic ring; Z is nitrogen or carbon; R 7 represents from mono-substitution to the possible maximum number of substitution, or no substitution; R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , and R 7 are independently selected from the group consisting of hydrogen, deuterium, halide, alkyl, cycloalkyl, heteroalkyl, arylalkyl, alkoxy, aryloxy, amino, silyl, alkenyl, cycloalkenyl, heteroalkenyl, alkynl, aryl, heteroaryl, acyl, carbonyl, carboxylic acids, ester, nitrite, isonitrile, sulfanyl, sulfinyl, sulfonyl, phosphino, and combinations thereof; any adjacent substituents of R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , and R 7 are optionally joined or fused into a ring or a double bond; the ligand L A is coordinated to a metal M through the carbene carbon and Z; and the ligand L A is optionally linked with other ligands to comprise a tridentate, tetradentate, pentadentate or hexadentate ligand.

  公开了一种具有式I的卡宾配体LA的化合物，其中环A是5元或6元的碳环或杂环，Z是氮或碳，R7表示从单取代到可能的最大取代数，或无取代，R1、R2、R3、R4、R5、R6和R7独立地选自氢、氘、卤素、烷基、环烷基、杂基烷基、芳基烷基、烷氧基、芳氧基、氨基、硅烷基、烯基、环烯基、杂基烯基、炔基、芳基、杂芳基、酰基、羰基、羧酸、酯、亚硝基、异腈、硫醇基、亚砜基、磺酰基、膦基和其组合物；R1、R2、R3、R4、R5、R6和R7的任何相邻取代基可选地连接或融合成环或双键；配体LA通过卡宾碳和Z与金属M配位；配体LA可选择地与其他配体连接以形成三齿、四齿、五齿或六齿配体。
• Organic electroluminescent materials and devices
  申请人：Universal Display Corporation

  公开号：US11056657B2

  公开（公告）日：2021-07-06

  A compound having a carbene ligand LA of Formula I: is disclosed wherein ring A is a 5-membered or 6-membered carbocyclic or heterocyclic ring; Z is nitrogen or carbon; R7 represents from mono-substitution to the possible maximum number of substitution, or no substitution; R1, R2, R3, R4, R5, R6, and R7 are independently selected from the group consisting of hydrogen, deuterium, halide, alkyl, cycloalkyl, heteroalkyl, arylalkyl, alkoxy, aryloxy, amino, silyl, alkenyl, cycloalkenyl, heteroalkenyl, alkynl, aryl, heteroaryl, acyl, carbonyl, carboxylic acids, ester, nitrite, isonitrile, sulfanyl, sulfinyl, sulfonyl, phosphino, and combinations thereof; any adjacent substituents of R1, R2, R3, R4, R5, R6, and R7 are optionally joined or fused into a ring or a double bond; the ligand LA is coordinated to a metal M through the carbene carbon and Z; and the ligand LA is optionally linked with other ligands to comprise a tridentate, tetradentate, pentadentate or hexadentate ligand.

  一种具有式 I 碳烯配体 LA 的化合物： 的化合物，其中环 A 是 5 元或 6 元碳环或杂环；Z 是氮或碳；R7 代表从单个取代基到可能的最大取代基数，或无取代基；R1、R2、R3、R4、R5、R6 和 R7 独立地选自氢、氘、卤化物、烷基、环烷基、杂烷基、芳烷基、烷氧基、芳氧基、氨基、硅烷基、烯基、环烯基、杂烯基、炔基、芳基、杂芳基、酰基、羰基、羧酸、酯、亚硝酸盐、异腈、硫酰基、亚砜基、磺酰基、膦基及其组合；R1、R2、R3、R4、R5、R6 和 R7 的任何相邻取代基可任选连接或融合成环或双键；配体 LA 通过碳烯碳和 Z 与金属 M 配位；配体 LA 可任选与其他配体连接，组成三齿、四齿、五齿或六齿配体。