1-[4-(4-Hexylphenyl)-2,6-dimethylphenyl]-5-[3-(4-hexylphenyl)phenyl]-3-methyl-1,2,4-triazole

• 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: 1-[4-(4-Hexylphenyl)-2,6-dimethylphenyl]-5-[3-(4-hexylphenyl)phenyl]-3-methyl-1,2,4-triazole
• 英文别名: 1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-5-[3-(4-hexylphenyl)phenyl]-3-methyl-1,2,4-triazole
• 化学式: C₄₁H₄₉N₃
• 分子量: 583.8
• InChiKey: VRXPWADEPMMMBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.6
• 重原子数：
  44
• 可旋转键数：
  14
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• [EN] LIGHT-EMITTING COMPOUND<br/>[FR] COMPOSÉ ÉLECTROLUMINESCENT
  申请人：CAMBRIDGE DISPLAY TECH LTD

  公开号：WO2017103599A1

  公开（公告）日：2017-06-22

  A compound of formula (I): wherein M is a transition metal; x is at least 1; z is 0 or a positive integer; L1 is a ligand selected from one of ligands (II-A), (II-B); L2 is a ligand selected from another of ligands of formulae (II-A), (II-B) and (II-C); and L3 is a ligand other than a ligand of formulae (II-A), (II-B) or (II-C): (II-A) (II-B) (II-C) in which each of R1 - R6 is substituent and Ar1 - Ar3 are each an unsubstituted or substituted aryl or heteroaryl group. The compound of formula (I) may be used as a phosphorescent light-emitting material of an organic light-emitting device.

  公式（I）的化合物：其中M是过渡金属；x至少为1；z为0或正整数；L1是从配体（II-A）、（II-B）中选择的配体；L2是从配体（II-A）、（II-B）和（II-C）的另一个中选择的配体；L3是除了配体（II-A）、（II-B）或（II-C）之外的另一种配体：（II-A）（II-B）（II-C），其中R1-R6中的每个都是取代基，Ar1-Ar3中的每个都是未取代或取代的芳基或杂环芳基。公式（I）的化合物可用作有机发光器件的磷光发光材料。
• LIGHT-EMITTING COMPOUND
  申请人：Sumitomo Chemical Company Limited

  公开号：US20140151659A1

  公开（公告）日：2014-06-05

  An unsubstituted or substituted phosphorescent compound of formula (I): Wherein: M is a transition metal; L in each occurrence is independently a mono- or poly-dentate ligand; R 8 is H or a substituent; R 9 and R 10 are each independently selected from the group consisting of branched, linear or cyclic C 1-20 alkyl wherein non-adjacent C atoms of the C 1-20 alkyl may be replaced with —O—, —S—, —NR 12 —, —SiR 12 2 — or —COO— and one or more H atoms may be replaced with F or —NR 12 2 , wherein R 12 is H or a substituent; R 11 in each occurrence is independently H or a substituent, wherein two groups R 11 may be linked to form a ring; x is at least 1; y is 0 or a positive integer; and z1, z2 and z3 are each independently 0 or a positive integer.