Cas no 133792-15-1 ([1,1':4',1''-Terphenyl]-4-carbonitrile,4''-ethyl-)

[1,1':4',1''-Terphenyl]-4-carbonitrile,4''-ethyl- structure
133792-15-1 structure
Product Name:[1,1':4',1''-Terphenyl]-4-carbonitrile,4''-ethyl-
CAS No:133792-15-1
MF:C21H17N
MW:283.366385221481
CID:105753
PubChem ID:20625416
Update Time:2025-04-18

[1,1':4',1''-Terphenyl]-4-carbonitrile,4''-ethyl- Chemical and Physical Properties

Names and Identifiers

    • [1,1':4',1''-Terphenyl]-4-carbonitrile,4''-ethyl-
    • 4-CYANO-4'-ETHYL-P,P-TERPHENYL
    • 2CT
    • 4-cyano-4'-ethylterphenyl
    • 4''-N-ETHYL-1,1':4',1''-TERPHENYL-4-CARBONITRILE
    • 133792-15-1
    • AKOS024389658
    • SCHEMBL10243323
    • 4-[4-(4-ethylphenyl)phenyl]benzonitrile
    • 4-[4-(4-ethylphenyl)phenyl]benzenecarbonitrile
    • FT-0718814
    • Inchi: 1S/C21H17N/c1-2-16-3-7-18(8-4-16)20-11-13-21(14-12-20)19-9-5-17(15-22)6-10-19/h3-14H,2H2,1H3
    • InChI Key: IOBZCOSZOOUKNS-UHFFFAOYSA-N
    • SMILES: N#CC1C=CC(=CC=1)C1C=CC(=CC=1)C1C=CC(=CC=1)CC

Computed Properties

  • Exact Mass: 283.13600
  • Monoisotopic Mass: 283.136099547g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 3
  • Complexity: 368
  • 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: 5.7
  • Topological Polar Surface Area: 23.8?2

Experimental Properties

  • PSA: 23.79000
  • LogP: 5.45468
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