Cas no 839732-59-1 (Perylene, 3,10-bis(2,6-dimethylphenyl)-)

Perylene, 3,10-bis(2,6-dimethylphenyl)- structure
839732-59-1 structure
Product Name:Perylene, 3,10-bis(2,6-dimethylphenyl)-
CAS No:839732-59-1
MF:C36H28
MW:460.607529640198
CID:583349
PubChem ID:23115772
Update Time:2025-04-19

Perylene, 3,10-bis(2,6-dimethylphenyl)- Chemical and Physical Properties

Names and Identifiers

    • Perylene, 3,10-bis(2,6-dimethylphenyl)-
    • 3,10-bis(2,6-dimethylphenyl)perylene
    • 839732-59-1
    • DTXSID40630724
    • Inchi: 1S/C36H28/c1-21-9-5-10-22(2)33(21)29-17-19-31-32-20-18-30(34-23(3)11-6-12-24(34)4)28-16-8-14-26(36(28)32)25-13-7-15-27(29)35(25)31/h5-20H,1-4H3
    • InChI Key: ONPGJYGFTLAKCZ-UHFFFAOYSA-N
    • SMILES: C12C3=CC=CC=1C1=CC=CC4=C(C5C(C)=CC=CC=5C)C=CC(C2=CC=C3C2C(C)=CC=CC=2C)=C14

Computed Properties

  • Exact Mass: 460.219100893g/mol
  • Monoisotopic Mass: 460.219100893g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 2
  • Complexity: 684
  • 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: 10.5
  • Topological Polar Surface Area: 0?2
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