Cas no 127414-75-9 (2-Anthracenesulfonicacid, 9,10-bis(phenylamino)-)

2-Anthracenesulfonicacid, 9,10-bis(phenylamino)- structure
127414-75-9 structure
Product Name:2-Anthracenesulfonicacid, 9,10-bis(phenylamino)-
CAS No:127414-75-9
MF:C26H20N2O3S
MW:440.513605117798
CID:226062
PubChem ID:71340537
Update Time:2025-04-19

2-Anthracenesulfonicacid, 9,10-bis(phenylamino)- Chemical and Physical Properties

Names and Identifiers

    • 2-Anthracenesulfonicacid, 9,10-bis(phenylamino)-
    • 9,10-dianilinoanthracene-2-sulfonic acid
    • K 33
    • K 33(fluorescent probe)
    • 127414-75-9
    • DTXSID60767703
    • Inchi: 1S/C26H20N2O3S/c29-32(30,31)20-15-16-23-24(17-20)26(28-19-11-5-2-6-12-19)22-14-8-7-13-21(22)25(23)27-18-9-3-1-4-10-18/h1-17,27-28H,(H,29,30,31)
    • InChI Key: HDBKUJBDEABRQM-UHFFFAOYSA-N
    • SMILES: S(C1=CC=C2C(=C3C=CC=CC3=C(C2=C1)NC1C=CC=CC=1)NC1C=CC=CC=1)(=O)(=O)O

Computed Properties

  • Exact Mass: 440.1196
  • Monoisotopic Mass: 440.11946368g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 5
  • Complexity: 711
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 6.3
  • Topological Polar Surface Area: 86.8?2

Experimental Properties

  • PSA: 78.43
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