Cas no 61469-65-6 (3,9,10-Phenanthrenetricarbonitrile)

3,9,10-Phenanthrenetricarbonitrile structure
61469-65-6 structure
Product Name:3,9,10-Phenanthrenetricarbonitrile
CAS No:61469-65-6
MF:C17H7N3
MW:253.257582902908
CID:478165
PubChem ID:71395559
Update Time:2025-04-19

3,9,10-Phenanthrenetricarbonitrile Chemical and Physical Properties

Names and Identifiers

    • 3,9,10-Phenanthrenetricarbonitrile
    • phenanthrene-3,9,10-tricarbonitrile
    • DTXSID30817168
    • 61469-65-6
    • Inchi: 1S/C17H7N3/c18-8-11-5-6-14-15(7-11)12-3-1-2-4-13(12)16(9-19)17(14)10-20/h1-7H
    • InChI Key: PQWMTFJVEPRDJC-UHFFFAOYSA-N
    • SMILES: N#CC1C(C#N)=C2C=CC=CC2=C2C=C(C#N)C=CC2=1

Computed Properties

  • Exact Mass: 253.06411
  • Monoisotopic Mass: 253.063997236g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 0
  • Complexity: 524
  • 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: 3.6
  • Topological Polar Surface Area: 71.4?2

Experimental Properties

  • PSA: 71.37
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