8,19-Didecyl-4,15-dithia-10,21-diazahexacyclo[10.10.0.02,10.03,7.013,21.014,18]docosa-1,3(7),5,8,12,14(18),16,19-octaene-11,22-dione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: 8,19-Didecyl-4,15-dithia-10,21-diazahexacyclo[10.10.0.02,10.03,7.013,21.014,18]docosa-1,3(7),5,8,12,14(18),16,19-octaene-11,22-dione
• 英文别名: 8,19-didecyl-4,15-dithia-10,21-diazahexacyclo[10.10.0.02,10.03,7.013,21.014,18]docosa-1,3(7),5,8,12,14(18),16,19-octaene-11,22-dione
• 化学式: C₃₈H₄₈N₂O₂S₂
• 分子量: 628.9
• InChiKey: IPRDHQPGKMFBHP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.3
• 重原子数：
  44
• 可旋转键数：
  18
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  97.1
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• NOVEL HETEROCYCLIC FLUORESCENT DYES AND METHOD OF PRODUCTION THEREOF
  申请人：BASF SE

  公开号：US20150380660A1

  公开（公告）日：2015-12-31

  The invention relates to novel compounds of formula (III) that can be used as heterocyclic dyes of unique structure and properties. These compounds can be obtained in a three-step synthesis from simple substrates. The compounds according to the invention have excellent solubility in organic solvents and excellent film-forming properties. In addition, high efficiency of energy conversion, excellent field-effect mobility, good on/off current ratios and/or excellent stability can be observed, when the compounds according to the invention are used in organic field effect transistors, organic photovoltaics (solar cells) and photodiodes.

  本发明涉及一种新型化合物(III)的配方，可用作具有独特结构和性质的杂环染料。这些化合物可以从简单的底物中通过三步合成得到。本发明中的化合物在有机溶剂中具有优异的溶解性和优异的膜形成性能。此外，当本发明中的化合物用于有机场效应晶体管、有机光伏(太阳能电池)和光电二极管时，可以观察到高能量转换效率、优异的场效应迁移率、良好的开/关电流比和/或优异的稳定性。
• US9595680B2
  申请人：——

  公开号：US9595680B2

  公开（公告）日：2017-03-14
• US9893302B2
  申请人：——

  公开号：US9893302B2

  公开（公告）日：2018-02-13
• [EN] NOVEL HETEROCYCLIC FLUORESCENT DYES AND METHOD OF PRODUCTION THEREOF<br/>[FR] NOUVEAUX COLORANTS FLUORESCENTS HÉTÉROCYCLIQUES ET LEUR PROCÉDÉ DE PRÉPARATION
  申请人：BASF SE

  公开号：WO2014135491A1

  公开（公告）日：2014-09-12

  The invention relates to novel compounds of formula (III) that can be used as heterocyclic dyes of unique structure and properties. These compounds can be obtained in a three-step synthesis from simple substrates. The compounds according to the invention have excellent solubility in organic solvents and excellent film-forming properties. In addition, high efficiency of energy conversion, excellent field-effect mobility, good on/off current ratios and/or excellent stability can be observed, when the compounds according to the invention are used in organic field effect transistors, organic photovoltaics (solar cells) and photodiodes.