Cas no 475-63-8 (Helianthrone)

Helianthrone structure
Helianthrone structure
Product Name:Helianthrone
CAS No:475-63-8
MF:C28H14O2
MW:382.40956735611
CID:331894
PubChem ID:68058
Update Time:2025-04-19

Helianthrone Chemical and Physical Properties

Names and Identifiers

    • Dibenzo[a,o]perylene-7,16-dione
    • Helianthrone
    • 1.2,11.12-Dibenzo-perylenchinon-(3.10)
    • 1.9.1'.9'-Benzdianthron
    • AC1L28Y2
    • AC1Q6EB0
    • CTK1D7935
    • Dibenzo(a,o)perylene-7,16-dione
    • Dibenzo[a,o]perylen-7,16-dion
    • EINECS 207-497-5
    • Helianthron
    • Mesobenzdianthron
    • NSC152100
    • U52LI8UC9R
    • CHEMBL2003710
    • UNII-U52LI8UC9R
    • Helioanthrone
    • 475-63-8
    • C28H14O2
    • NSC 152100
    • {Dibenzo[a,o]perylene-7,16-dione}
    • NCI60_001067
    • NS00031704
    • DTXSID1060055
    • NSC-152100
    • Dibenzo[a,16-dione
    • Inchi: 1S/C28H14O2/c29-27-19-9-3-1-7-17(19)25-23-15(11-5-13-21(23)27)16-12-6-14-22-24(16)26(25)18-8-2-4-10-20(18)28(22)30/h1-14H
    • InChI Key: CJADAVIATOALFB-UHFFFAOYSA-N
    • SMILES: O=C1C2C=CC=CC=2C2C3=C1C=CC=C3C1C=CC=C3C(C4C=CC=CC=4C=2C=13)=O

Computed Properties

  • Exact Mass: 382.09942
  • Monoisotopic Mass: 382.099379685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 0
  • Complexity: 679
  • 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: 6.7
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • PSA: 34.14
  • LogP: 6.41580
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