N-[1-phenyl-2-[9-phenyl-4-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-yl]ethyl]benzenecarboximidamide

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: N-[1-phenyl-2-[9-phenyl-4-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-yl]ethyl]benzenecarboximidamide
• 化学式: C₆₃H₄₅N₅
• 分子量: 872.1
• InChiKey: KUHZZINCAWPRKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.4
• 重原子数：
  68
• 可旋转键数：
  9
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  53.2
• 氢给体数：
  1
• 氢受体数：
  1

文献信息

• MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME
  申请人：Idemitsu Kosan Co., Ltd

  公开号：EP2762477A1

  公开（公告）日：2014-08-06

  A compound represented by the following formula (1): wherein in the formula (1), Ar1 and Ar2 are independently a substituted or unsubstituted aryl group, a substituted or unsubstituted heteroaryl group, or a substituted or unsubstituted alkyl group; X1 to X4 and X13 to X16 are independently CR1, CH or N; one of X5 to X8 is a carbon atom bonding to one of X9 to X12, and at least one of X5 to X8 that is adjacent to the carbon atom bonding to one of X9 to X12 is CR2; one of X9 to X12 is a carbon atom bonding to one of X5 to X8, and X9 to X12 that is adjacent to the carbon atom bonding to one of X5 to X8 is CH or N; and the remaining X5 to X8 and the remaining X9 to X12 are CR1, CH or N.

  以下为式子（1）所代表的化合物： 在式子（1）中，Ar1和Ar2分别为取代或未取代的芳基基团、取代或未取代的杂环基团或取代或未取代的烷基基团；X1至X4和X13至X16分别为CR1、CH或N；X5至X8中的一个为与X9至X12中的一个碳原子相连接的碳原子，且至少一个与X9至X12中的一个碳原子相邻的X5至X8为CR2；X9至X12中的一个为与X5至X8中的一个碳原子相连接的碳原子，且与X5至X8中的一个碳原子相邻的X9至X12为CH或N；其余的X5至X8和X9至X12为CR1、CH或N。