3-Bromo-5-(2,4-difluorophenyl)-1-(2-methylpropyl)-1H-1,2,4-triazole | 799269-67-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-Bromo-5-(2,4-difluorophenyl)-1-(2-methylpropyl)-1H-1,2,4-triazole
• 英文别名: 3-bromo-5-(2,4-difluorophenyl)-1-(2-methylpropyl)-1,2,4-triazole
• CAS: 799269-67-3
• 化学式: C₁₂H₁₂BrF₂N₃
• 分子量: 316.14
• InChiKey: SKYFDYBIGKEHAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• Organic phosphorescent material and organic optoelectronic device
  申请人：Burn Leslie Paul

  公开号：US20070009759A1

  公开（公告）日：2007-01-11

  The invention provides a cyclometallated complex comprising the structure of formula I wherein: M is a d-block transition metal; B is a five- or six-membered aryl or heteroaryl ring which is optionally substituted and optionally fused to one or more other aryl or heteroaryl rings; A is a five- or six-membered heteroaryl ring comprising at least three nitrogen atoms; R 1 is a group other than hydrogen; n is zero or an integer equal to or greater than one; and A and B are optionally fused or linked by one or more covalent bonds. The invention also provides the use of such complexes in optoelectronic devices, and in particular in organic light emitting devices.
• ORGANIC PHOSPHORESCENT MATERIAL AND ORGANIC OPTOELECTRONIC DEVICE
  申请人：Burn Paul Leslie

  公开号：US20100096983A1

  公开（公告）日：2010-04-22

  The invention provides a cyclometallated complex comprising the structure of formula I wherein: M is a d-block transition metal; B is a five- or six-membered aryl or heteroaryl ring which is optionally substituted and optionally fused to one or more other aryl or heteroaryl rings; A is a five- or six-membered heteroaryl ring comprising at least three nitrogen atoms; R 1 is a group other than hydrogen; n is zero or an integer equal to or greater than one; and A and B are optionally fused or linked by one or more covalent bonds. The invention also provides the use of such complexes in optoelectronic devices, and in particular in organic light emitting devices.
• US7659010B2
  申请人：——

  公开号：US7659010B2

  公开（公告）日：2010-02-09
• US8216699B2
  申请人：——

  公开号：US8216699B2

  公开（公告）日：2012-07-10