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  3. HIT218848320
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HIT218848320
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HIT218848320
  • HIT ID:HIT218848320
  • Cas No:1895075-93-0
  • 常用名:IR-34
  • IUPAC:1-(5-{[(1S)-1-carboxyethyl]carbamoyl}pentyl)-2-[2-(3-{2-[1-(5-{[(1S)-1-carboxyethyl]carbamoyl}pentyl)-3,3-dimethyl-2,3-dihydro-1H-indol-2-ylidene]ethylidene}-2-chlorocyclohex-1-en-1-yl)ethenyl]-3,3-dimethyl-3H-indol-1-ium bromide
    IUPAC:1-(5-{[(1S)-1-carboxyethyl]carbamoyl}pentyl)-2-[2-(3-{2-[1-(5-{[(1S)-1-carboxyethyl]carbamoyl}pentyl)-3,3-dimethyl-2,3-dihydro-1H-indol-2-ylidene]ethylidene}-2-chlorocyclohex-1-en-1-yl)ethenyl]-3,3-dimethyl-3H-indol-1-ium bromide
  • InChI key:WEBBDXYPCUMOOU-MLGYITDRSA-N
  • 分子式:C48H62BrClN4O6
  • 分子量:906.4
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[Br-].C[C@H](NC(=O)CCCCCN1C(=CC=C2CCCC(C=CC3=[N+](CCCCCC(=O)N[C@@H](C)C(O)=O)c4ccccc4C3(C)C)=C2Cl)C(C)(C)c2ccccc12)C(O)=O
    SMILES:[Br-].C[C@H](NC(=O)CCCCCN1C(=CC=C2CCCC(C=CC3=[N+](CCCCCC(=O)N[C@@H](C)C(O)=O)c4ccccc4C3(C)C)=C2Cl)C(C)(C)c2ccccc12)C(O)=O
  • IR-34, an indole cyanine dye, is characterized by its deep blue color. It exhibits strong fluorescence and absorption properties, making it useful in various applications such as bioimaging and photodynamic therapy.
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