Cas no 914-20-5 ([1,1'-Bianthracene]-9,9',10,10'-tetrone)

[1,1'-Bianthracene]-9,9',10,10'-tetrone structure
914-20-5 structure
Product Name:[1,1'-Bianthracene]-9,9',10,10'-tetrone
CAS No:914-20-5
MF:C28H14O4
MW:414.40836763382
CID:787707
PubChem ID:6737485
Update Time:2025-04-19

[1,1'-Bianthracene]-9,9',10,10'-tetrone Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Bianthracene]-9,9',10,10'-tetrone
    • 1-(9,10-dioxoanthracen-1-yl)anthracene-9,10-dione
    • 1,1'-Bi[anthraquinone]
    • [1,1']Bianthryl-9,10,9',10'-tetraon
    • [1,1']bianthryl-9,10,9',10'-tetraone
    • 1,1'-bi-anthrachinonyl
    • 1,1'-bis(9,10-anthraquinone)
    • Di-(anthrachinon-(9.10)-yl-(1))
    • Dianthryl-(1.1')-dichinon-(9.10,9'.10')
    • HMS588N11
    • SCHEMBL5010110
    • ChemDiv1_000649
    • 914-20-5
    • [1,1'-Bianthracene]-9,9',10,10'-tetraone
    • bianthraquinone
    • DTXSID70425160
    • Inchi: 1S/C28H14O4/c29-25-17-7-1-3-9-19(17)27(31)23-15(11-5-13-21(23)25)16-12-6-14-22-24(16)28(32)20-10-4-2-8-18(20)26(22)30/h1-14H
    • InChI Key: SZKSKYDUWNZBPR-UHFFFAOYSA-N
    • SMILES: O=C1C2C=CC=CC=2C(C2C=CC=C(C=21)C1=CC=CC2C(C3C=CC=CC=3C(C1=2)=O)=O)=O

Computed Properties

  • Exact Mass: 414.08900
  • Monoisotopic Mass: 414.08920892g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 1
  • Complexity: 761
  • 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: 5.4
  • Topological Polar Surface Area: 68.3?2

Experimental Properties

  • PSA: 68.28000
  • LogP: 4.90440

[1,1'-Bianthracene]-9,9',10,10'-tetrone Related Literature

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