2-Cyclohexa-1,3-dien-1-yl-6-methyl-4-naphthalen-1-yl-1,2,3,4-tetrahydropyrimidine

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-Cyclohexa-1,3-dien-1-yl-6-methyl-4-naphthalen-1-yl-1,2,3,4-tetrahydropyrimidine
• 英文别名: 2-cyclohexa-1,3-dien-1-yl-6-methyl-4-naphthalen-1-yl-1,2,3,4-tetrahydropyrimidine
• 化学式: C₂₁H₂₂N₂
• 分子量: 302.4
• InChiKey: LNKRKWLRPXWDCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  24.1
• 氢给体数：
  2
• 氢受体数：
  2

文献信息

• BISCARBAZOLE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME
  申请人：Idemitsu Kosan Co., Ltd

  公开号：EP2746273A1

  公开（公告）日：2014-06-25

  A biscarbazole derivative is represented by the following formula (1). A1 and A2 of the following formula (1) represent an aromatic hydrocarbon group having 6 to 30 ring carbon atoms or an aromatic heterocyclic group having 1 to 30 ring carbon atoms. However, at least one of A1 and A2 represents an aromatic heterocyclic group having 1 to 30 ring carbon atoms. Y1 to Y15 represent CR or a nitrogen atom. One of Y8 to Y11 is C (carbon atom) obtained by removing R from CR. The obtained C is bonded to L3. R each independently represents a hydrogen atom, an aromatic hydrocarbon group or the like. L1 to L3 represent a single bond or a divalent linking group. When L3 is a single bond and is bonded to Y11, L1 and L2 are divalent linking groups.

  一种双咔唑衍生物由以下式（1）表示。以下式（1）中的A1和A2代表具有6至30个环碳原子的芳香烃基或具有1至30个环碳原子的芳香杂环基。然而，A1和A2中至少一个代表具有1至30个环碳原子的芳香杂环基。Y1至Y15代表CR或氮原子。Y8至Y11中的一个是通过从CR中去除R而获得的碳（碳原子）。获得的C与L3键合。R分别代表氢原子、芳香烃基或类似物。L1至L3代表单键或二价连接基团。当L3为单键且与Y11键合时，L1和L2为二价连接基团。