N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-4-(4-phenylphenyl)aniline

• 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: N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-4-(4-phenylphenyl)aniline
• 化学式: C₄₂H₂₉NS
• 分子量: 579.765
• InChiKey: CRTVNPLAAYARQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.4
• 重原子数：
  44
• 可旋转键数：
  6
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  31.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-溴二苯并噻吩 在 四(三苯基膦)钯 、 二(三叔丁基膦)钯 、 potassium carbonate 、 sodium t-butanolate 作用下， 以 四氢呋喃 、 5,5-dimethyl-1,3-cyclohexadiene 、 水 为溶剂， 反应 60.0h， 生成 N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-4-(4-phenylphenyl)aniline
  参考文献：
  名称：

  JP5836488

  摘要：

  公开号：

文献信息

• ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES
  申请人：UNIVERSAL DISPLAY CORPORATION

  公开号：US20200369699A1

  公开（公告）日：2020-11-26

  Provided is a compound comprising a first ligand L A of

  提供一个包含第一配体L的化合物。
• Organic Electroluminescent Materials and Devices
  申请人：Universal Display Corporation

  公开号：US20200274081A1

  公开（公告）日：2020-08-27

  A compound of Formula I wherein: ring B is a 5-membered heterocyclic ring, or a 6-membered carbocyclic ring; each of X 1 and X 2 is independently C, CR, or N, with at least one of them being C; each of X 3 -X 11 is independently C, CR, or N, with at least one of them being N, and two adjacent of X 3 -X 7 are carbon-fused to the shown moiety through the linkage indicated by the two squiggly lines; Y is selected from the group consisting of O, S, Se, NR′, CR′R″, and SiR′R″; each of R A and R B independently represents zero, mono, or up to a maximum allowed substitution to its associated ring; each of R, R′, R″, R A , and R B is independently a hydrogen or a substituent selected from the group consisting of —SiR 1 R 2 R 3 or —GeR 1 R 2 R 3 , deuterium, halogen, alkyl, cycloalkyl, heteroalkyl, heterocycloalkyl, arylalkyl, alkoxy, aryloxy, amino, silyl, boryl, alkenyl, cycloalkenyl, heteroalkenyl, alkynyl, aryl, heteroaryl, acyl, carboxylic acid, ether, ester, nitrile, isonitrile, sulfanyl, sulfinyl, sulfonyl, phosphino, and combinations thereof, with at least one of R A or R B comprising —SiR 1 R 2 R 3 or —GeR 1 R 2 R 3 ; each of R 1 , R 2 , and R 3 is independently selected from the group consisting of alkyl, aryl group, heteroaryl group, and combinations thereof; and any two substituents are optionally joined or fused to form a ring where chemically feasible.

  根据公式I的化合物 其中： 环B是5元的杂环，或者是6元的碳环； X1和X2各自独立为C、CR或N，其中至少有一个是C； X3-X11各自独立为C、CR或N，其中至少有一个是N，并且X3-X7的两个相邻碳与所示基团通过波浪线指示的连接方式碳融合； Y选自由O、S、Se、NR'、CR'R"和SiR'R"组成的组； RA和RB各自独立代表其相关环允许的最大取代数，零、单或至多； R、R'、R"、RA和RB各自独立为氢或选自—SiR1R2R3或—GeR1R2R3，氘，卤素，烷基，环烷基，杂烷基，杂环烷基，芳烷基，烷氧基，芳氧基，氨基，硅基，硼基，烯基，环烯基，杂烯基，炔基，芳基，杂芳基，酰基，羧酸，醚，酯，腈，异腈，硫anyl，亚磺酰基，磺酰基，磷基和它们的组合的取代基，其中至少一个RA或RB包含—SiR1R2R3或—GeR1R2R3； R1、R2和R3各自独立选自烷基，芳基组，杂芳基组和它们的组合；并且 任意两个取代基可选择性连接或融合成环，在化学上可行的话。
• CARBENE COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICES
  申请人：UNIVERSITY OF SOUTHERN CALIFORNIA

  公开号：US20190161504A1

  公开（公告）日：2019-05-30

  A compound selected from the group consisting of Formula I, Formula II, and Formula III, wherein ring A, ring B, and ring C are independently a five-membered or six-membered, carbocyclic or heterocyclic ring, each of which is optionally aromatic; ring W of Formula I is a 6-membered heterocyclic ring, and ring W of Formula II or Formula III is a 5-membered or 6-membered heterocyclic ring; L is a monodentate ligand with a metal coordinating member selected from the group consisting of C, N, O, S, and P; and M is a metal selected from the group consisting of Cu, Au, and Ag.

  从由Formula I、Formula II和Formula III组成的化合物中选择的一种化合物，其中环A、环B和环C分别是五元或六元的碳环或杂环，每个环可选择为芳香环；Formula I中的环W是一个六元杂环，而Formula II或Formula III中的环W是一个五元或六元的杂环；L是一种与金属配位成员选择自C、N、O、S和P的一羧基配体；M是选择自Cu、Au和Ag的金属。
• HOST MATERIALS FOR ELECTROLUMINESCENT DEVICES
  申请人：Universal Display Corporation

  公开号：US20200190103A1

  公开（公告）日：2020-06-18

  A compound of Formula I wherein X 1 and X 2 are independently CR X or N, and at least one of X 1 or X 2 is CR X ; Y is selected from the group consisting of O, S, Se, NR′, BR′, CR′R″, and SiR′R″; R′, and R″ are each independently selected from the group consisting of alkyl, cycloalkyl, heteroalkyl, heterocycloalkyl, aryl, heteroaryl, and combinations thereof; R is selected from the group consisting of deuterium, halogen, alkyl, cycloalkyl, heteroalkyl, heterocycloalkyl, arylalkyl, alkoxy, aryloxy, amino, silyl, alkenyl, cycloalkenyl, heteroalkenyl, alkynyl, aryl, heteroaryl, acyl, carboxylic acid, ether, ester, nitrile, isonitrile, sulfanyl, sulfinyl, sulfonyl, phosphino, and combinations thereof; R A , and R C each independently represent mono to the maximum allowable substitution, or no substitution; and each R X , R A , and R C is independently a hydrogen or a substituent selected from the group consisting of deuterium, halogen, alkyl, cycloalkyl, heteroalkyl, heterocycloalkyl, arylalkyl, alkoxy, aryloxy, amino, silyl, alkenyl, cycloalkenyl, heteroalkenyl, alkynyl, aryl, heteroaryl, acyl, carboxylic acid, ether, ester, nitrile, isonitrile, sulfanyl, sulfinyl, sulfonyl, phosphino, and combinations thereof, and wherein any two substituents R X , R A , and R C may be optionally joined to form a ring, with the proviso that R does not join with R A to form a ring.

  公式I的化合物，其中X1和X2分别独立地为CRX或N，且X1或X2中至少有一个为CRX；Y选自O、S、Se、NR′、BR′、CR′R″和SiR′R″组成的群；R′和R″各自独立地选自烷基、环烷基、杂原子烷基、杂原子环烷基、芳基、杂芳基及其组合物的群；R选自氘、卤素、烷基、环烷基、杂原子烷基、杂原子环烷基、芳基烷基、烷氧基、芳氧基、氨基、硅基、烯基、环烯基、杂原子烯基、炔基、芳基、杂芳基、酰基、羧酸基、醚、酯、腈、异腈、硫基、亚硫基、砜基、膦基及其组合物的群；RA和RC各自独立地表示单取代至最大允许取代，或无取代；每个RX、RA和RC独立地为氢或选自氘、卤素、烷基、环烷基、杂原子烷基、杂原子环烷基、芳基烷基、烷氧基、芳氧基、氨基、硅基、烯基、环烯基、杂原子烯基、炔基、芳基、杂芳基、酰基、羧酸基、醚、酯、腈、异腈、硫基、亚硫基、砜基、膦基及其组合物的取代基，且任意两个取代基RX、RA和RC可选择性地结合形成环，但R不与RA结合形成环。
• Organic electroluminescent materials and devices
  申请人：Universal Display Corporation

  公开号：US10276809B2

  公开（公告）日：2019-04-30

  This invention discloses novel ligands for metal complexes. These ligands comprise a new side chain, namely silacycloalkane, which could increase the dopants efficiency, tune the emission color, and enhance the lifetime.

  这项发明揭示了金属配合物的新型配体。这些配体包括一个新的侧链，即硅环烷烃基，可以提高掺杂剂的效率，调节发射颜色，并增强寿命。