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HIT218847670
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HIT218847670
  • HIT ID:HIT218847670
  • Cas No:1632296-13-9
  • 常用名:Caffeine orange
  • IUPAC:2,2-difluoro-4-[(1E)-2-(5-fluoro-1H-indol-3-yl)ethenyl]-6-methyl-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
    IUPAC:2,2-difluoro-4-[(1E)-2-(5-fluoro-1H-indol-3-yl)ethenyl]-6-methyl-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
  • InChI key:AROCVQXCAJKRTJ-GQCTYLIASA-N
  • 分子式:C20H15BF3N3
  • 分子量:365.17
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:Cc1cc(\C=C\c2c[nH]c3ccc(F)cc23)n2c1C=C1C=CC=[N+]1[B-]2(F)F
    SMILES:Cc1cc(\C=C\c2c[nH]c3ccc(F)cc23)n2c1C=C1C=CC=[N+]1[B-]2(F)F
  • Compound 1, known as Caffeine Orange, serves as a highly selective aqueous-phase fluorescence turn-on sensor specifically for caffeine. When exposed to 532 nm green excitation light, this compound causes caffeinated coffee to turn orange. Caffeine Orange boasts impressive photophysical properties, including a high extinction coefficient, excellent light stability, and a narrow emission bandwidth, making it valuable in the development of caffeine detection devices [1].
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