20-Thia-7,9-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene | 1400188-85-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 20-Thia-7,9-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
• 英文别名: 20-thia-7,9-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
• CAS: 1400188-85-3
• 化学式: C₁₇H₁₀N₂S
• 分子量: 274.346
• InChiKey: HNZLKQSVATUJCO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  56.9
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• NITROGEN-CONTAINING AROMATIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENT ELEMENTS
  申请人：Nippon Steel & Sumikin Chemical Co., Ltd.

  公开号：EP2687530A1

  公开（公告）日：2014-01-22

  Provided are a nitrogen-containing aromatic compound useful for an organic electroluminescent device, and an organic electroluminescent device (organic EL device) that improves luminous efficiency of the device and sufficiently ensures driving stability of the device. The nitrogen-containing aromatic heterocyclic compound is represented by the following formula (1). The organic EL device includes an organic layer that contains the nitrogen-containing aromatic heterocyclic compound between an anode and a cathode laminated on a substrate. In the formula (1), a ring A represents an aromatic ring represented by the formula (1a) and fused with two adjacent rings, a ring B represents a heterocycle represented by the formula (1b) and fused with two adjacent rings, Y's each represent C-R or N, X's each represent N-Z, O, S, or Se, R represents hydrogen, an alkyl group, an aromatic group, or the like, and Z represents an alkyl group, an aromatic group, or the like.

  本发明提供了一种可用于有机电致发光器件的含氮芳香族化合物，以及一种可提高器件发光效率并充分保证器件驱动稳定性的有机电致发光器件（有机 EL 器件）。含氮芳香杂环化合物用下式（1）表示。有机电致发光器件包括一个有机层，该有机层包含在层压在基板上的阳极和阴极之间的含氮芳香杂环化合物。在式(1)中，环 A 代表由式(1a)表示并与两个相邻环融合的芳香环，环 B 代表由式(1b)表示并与两个相邻环融合的杂环，Y 分别代表 C-R 或 N，X 分别代表 N-Z、O、S 或 Se，R 代表氢、烷基、芳香基等，Z 代表烷基、芳香基等。
• NITROGEN-CONTAINING AROMATIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE
  申请人：Nippon Steel & Sumikin Chemical Co., Ltd.

  公开号：EP2687530B1

  公开（公告）日：2018-07-11
• US9543526B2
  申请人：——

  公开号：US9543526B2

  公开（公告）日：2017-01-10