Cas no 5691-36-1 ( )

  structure
  structure
Product Name: 
CAS No:5691-36-1
MF:C26H20
MW:332.437006950378
CID:946124
PubChem ID:264485
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • 12-(2-phenylethyl)benzo[a]anthracene
    • 12-(2-phenylethyl)tetraphene
    • 12-Phenethyl-benz(a)anthracen
    • 12-phenethylbenzo[a]anthracene
    • AC1L6C03
    • AC1Q1IPW
    • AG-K-40055
    • AR-1C0581
    • CTK5A5901
    • NSC99591
    • 5691-36-1
    • NSC-99591
    • DTXSID80295093
    •  
    • Inchi: 1S/C26H20/c1-2-8-19(9-3-1)14-17-25-23-12-6-5-11-21(23)18-22-16-15-20-10-4-7-13-24(20)26(22)25/h1-13,15-16,18H,14,17H2
    • InChI Key: GVEJRGCTBREUQR-UHFFFAOYSA-N
    • SMILES: C1(C2C=CC=CC=2C=C2C=CC3C=CC=CC=3C=12)CCC1C=CC=CC=1

Computed Properties

  • Exact Mass: 332.1566
  • Monoisotopic Mass: 332.156500638g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 3
  • Complexity: 447
  • 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: 7.9
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 0
  • LogP: 6.93140
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