1-(4-Bromo-2,6-dimethylphenyl)-5-(3-bromophenyl)-3-methyl-1,2,4-triazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(4-Bromo-2,6-dimethylphenyl)-5-(3-bromophenyl)-3-methyl-1,2,4-triazole
• 英文别名: 1-(4-bromo-2,6-dimethylphenyl)-5-(3-bromophenyl)-3-methyl-1,2,4-triazole
• 化学式: C₁₇H₁₅Br₂N₃
• 分子量: 421.1
• InChiKey: AYXAPFRUAQTAGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• 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.