4-[7,7-bis(2-ethylhexyl)-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-1-[7-(2-ethylhexyl)-7-[(2S)-2-methylhexyl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 4-[7,7-bis(2-ethylhexyl)-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-1-[7-(2-ethylhexyl)-7-[(2S)-2-methylhexyl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
• 化学式: C₅₅H₇₄N₂O₂S₄
• 分子量: 923.5
• InChiKey: DQUXCZMQZSUDMI-ZLEGHOGMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.2
• 重原子数：
  63
• 可旋转键数：
  25
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  171
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• [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.