1,3-Dimethyl-2-oxo-2,3-dihydro-benzimidazol-4,7-chinon | 13265-33-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,3-Dimethyl-2-oxo-2,3-dihydro-benzimidazol-4,7-chinon
• 英文别名: 1,3-Dimethyl-4,7-dioxo-4,7-dihydro-benzimidazolon；1,3-dimethyl-1,3-dihydro-benzoimidazole-2,4,7-trione；1,3-Dimethylbenzimidazole-2,4,7-trione
• CAS: 13265-33-3
• 化学式: C₉H₈N₂O₃
• 分子量: 192.174
• InChiKey: UABFLPBRRVZSAP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  57.7
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• ORGANIC COMPOUND, CHARGE-TRANSPORTING MATERIAL, COMPOSITION FOR CHARGE-TRANSPORTING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE
  申请人：IIDA Koichiro

  公开号：US20090284134A1

  公开（公告）日：2009-11-19

  An organic compound having excellent heat resistance, an excellent amorphous nature, an excellent ability to transport charges, highly excited singlet and triplet states, and excellent solubility in an organic solvent is an organic compound represented by Formula (I): wherein Ar 1 represents an optionally-substituted aromatic hydrocarbon group, an optionally-substituted aromatic heterocyclic group, or an optionally-substituted alkyl group; Ar 2 represents an optionally-substituted aromatic hydrocarbon group or an optionally-substituted aromatic heterocyclic group; R 1 and R 2 each represent a hydrogen atom or a substituent, and R 1 and R 2 may be bonded to each other to form a ring; and Q is represented by Formula (I-1) or (I-2): wherein Ar 3 to Ar 5 each represent an optionally-substituted aromatic hydrocarbon group or an optionally-substituted aromatic heterocyclic group, and Ar 3 and Ar 4 may be bonded to each other to form a ring.

  具有优异热稳定性、优异非晶性、优异电荷传输能力、高度激发单重态和三重态状态、以及在有机溶剂中优异溶解性的有机化合物，可以用公式（I）表示，其中Ar1代表可选取代的芳香烃基、可选取代的芳香杂环基或可选取代的烷基；Ar2代表可选取代的芳香烃基或可选取代的芳香杂环基；R1和R2分别代表氢原子或取代基，R1和R2可相互连接形成环；Q由公式（I-1）或（I-2）表示，其中Ar3至Ar5分别代表可选取代的芳香烃基或可选取代的芳香杂环基，Ar3和Ar4可相互连接形成环。
• US8022617B2
  申请人：——

  公开号：US8022617B2

  公开（公告）日：2011-09-20