4-Ethyl-2,5-bis(2,3,4,5,6-pentadeuteriophenyl)pyridine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-Ethyl-2,5-bis(2,3,4,5,6-pentadeuteriophenyl)pyridine
• 英文别名: 4-ethyl-2,5-bis(2,3,4,5,6-pentadeuteriophenyl)pyridine
• 化学式: C19H17N
• 分子量: 269.4
• InChiKey: UEYFAFSFPBEVAY-HZKWNVQXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

文献信息

• PHOSPHORESCENT HOMOLEPTIC TRIS-[DEUTERATED-2-(2-PYRIDINYL)PHENYL]-IRIDIUM COMPLEXES FOR USE IN LIGHT-EMITTING DEVICES
  申请人：Universal Display Corporation

  公开号：EP3301099A1

  公开（公告）日：2018-04-04

  The present invention relates homoleptic tris-[deuterated-2-(2-Pyridinyl)phenyl]-iridium complexes for use as emitters and in electroluminescent devices. A non-comprehesive list of representative compounds is shown below:

  本发明涉及用作发光体和电致发光器件的同色三-[氚化-2-(2-吡啶基)苯基]-铱络合物。 具有代表性的化合物清单如下：
• PHOSPHORESCENT HOMOLEPTIC TRIS-[DEUTERATED-2(2-PYRIDINYL)PHENYL]-IRIDIUM COMPLEXES FOR USE IN LIGHT-EMITTING DEVICES
  申请人：Universal Display Corporation

  公开号：EP3882254A1

  公开（公告）日：2021-09-22

  Metal iridium complexes, devices containing the same, and formulations including the same described. The complexes can have the formula Ir(L1)n(L2)3-n, wherein the first ligand L1 has Formula I, the second ligand L2 has Formula II, L1 is different from L2; R1 is a partially or fully deuterated group consisting of alkyl and cyloalkyl; R2 represents mono, di, tri substitutions or no substitution; R3, R4 and R5 each represent mono, di, tri, tetra substitutions or no substitution; R2 and R3are each independently selected from the group consisting of hydrogen, deuterium, alkyl, cycloalkyl, and combinations thereof; R4 and R5 are each independently selected from the group consisting of hydrogen, deuterium, halide, alkyl, cycloalkyl, heteroalkyl, arylalkyl, alkoxy, aryloxy, amino, silyl, alkenyl, cycloalkenyl, heteroalkenyl, alkynyl, aryl, heteroaryl, acyl, carbonyl, carboxylic acids, ester, nitrile, isonitrile, sulfanyl, sulfinyl, sulfonyl, phosphino, and combinations thereof; and n is 1 or 2. Homoleptic, tris-iridium complex including deuterated alkyl groups are also described.

  所述的金属铱配合物、含有金属铱配合物的装置以及包括金属铱配合物的制剂。这些配合物可具有式 Ir(L1)n(L2)3-n，其中第一配体 L1 具有式 I、 第二配体 L2 具有式 II、 L1 与 L2 不同；R1 是由烷基和环烷基组成的部分或完全氚代的基团；R2 代表单取代基、二取代基、三取代基或非取代基；R3、R4 和 R5 各自代表单取代基、二取代基、三取代基、四取代基或非取代基；R2 和 R3 各自独立地选自氢、氘、烷基、环烷基及其组合组成的组；R4 和 R5 各自独立地选自氢、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、腈、异腈、硫酰基、亚砜基、磺酰基、膦基及其组合组成的组；以及 n 为 1 或 2。此外，还介绍了包括氚化烷基在内的同色三铱络合物。
• Organic electroluminescent materials and devices
  申请人：Universal Display Corporation

  公开号：US10367154B2

  公开（公告）日：2019-07-30

  A metal iridium complexes, devices containing the same, and formulations including the same described. The complexes can have the formula Ir(L1)n(L2)3−n, wherein the first ligand L1 has Formula I, the second ligand L2 has Formula II, L1 is different from L2; R1 is a partially or fully deuterated group consisting of alkyl and cycloalkyl; R2 represents mono, di, tri substitutions or no substitution; R3, R4 and R5 each represent mono, di, tri, tetra substitutions or no substitution; R2 and R3 are each independently selected from the group consisting of hydrogen, deuterium, alkyl, cycloalkyl, and combinations thereof; R4 and R5 are each independently selected from the group consisting of hydrogen, deuterium, halide, alkyl, cycloalkyl, heteroalkyl, arylalkyl, alkoxy, aryloxy, amino, silyl, alkenyl, cycloalkenyl, heteroalkenyl, alkynyl, aryl, heteroaryl, acyl, carbonyl, carboxylic acids, ester, nitrile, isonitrile, sulfanyl, sulfinyl, sulfonyl, phosphino, and combinations thereof; and n is 1 or 2. Homoleptic, tris-iridium complex including deuterated alkyl groups are also described.

  描述了一种金属铱络合物、含有这种络合物的设备以及包括这种络合物的配方。这些络合物的化学式为 Ir(L1)n(L2)3-n，其中 第一配体 L1 具有式 I、 第二配体 L2 具有式 II、 L1 与 L2 不同；R1 是由烷基和环烷基组成的部分或完全氚代的基团；R2 代表单取代基、二取代基、三取代基或非取代基；R3、R4 和 R5 各自代表单取代基、二取代基、三取代基、四取代基或非取代基；R2 和 R3 各自独立地选自氢、氘、烷基、环烷基及其组合组成的组；R4 和 R5 各自独立地选自由氢、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、腈、异腈、硫酰基、亚砜基、磺酰基、膦基及其组合组成的组；以及 n 为 1 或 2。此外，还介绍了包括氚化烷基在内的同色三铱络合物。
• Deuterated heteroleptic iridium complexes as phosphorescent material in OLEDS
  申请人：Universal Display Corporation

  公开号：EP2769982B1

  公开（公告）日：2017-11-22
• ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES
  申请人：UNIVERSAL DISPLAY CORPORATION

  公开号：US20190305231A1

  公开（公告）日：2019-10-03

  A metal iridium complexes, devices containing the same, and formulations including the same described. The complexes can have the formula Ir(L 1 ) n (L 2 ) 3-n , wherein the first ligand L 1 has Formula I, the second ligand L 2 has Formula II, L 1 is different from L 2 ; R 1 is a partially or fully deuterated group consisting of alkyl and cycloalkyl; R 2 represents mono, di, tri substitutions or no substitution; R 3 , R 4 , and R 5 each represent mono, di, tri, tetra substitutions or no substitution; R 2 and R 3 are each independently selected from the group consisting of hydrogen, deuterium, alkyl, cycloalkyl, and combinations thereof; R 4 and R 5 are each independently selected from the group consisting of hydrogen, deuterium, halide, alkyl, cycloalkyl, heteroalkyl, arylalkyl, alkoxy, aryloxy, amino, silyl, alkenyl, cycloalkenyl, heteroalkenyl, alkynyl, aryl, heteroaryl, acyl, carbonyl, carboxylic acids, ester, nitrile, isonitrile, sulfanyl, sulfinyl, sulfonyl, phosphino, and combinations thereof; and n is 1 or 2. Homoleptic, tris-iridium complex including deuterated alkyl groups are also described.