Cas no 645399-30-0 (1,3,5-Triazine, 2,4,6-tris([1,1':3',1''-terphenyl]-5'-yl)-)

1,3,5-Triazine, 2,4,6-tris([1,1':3',1''-terphenyl]-5'-yl)- structure
645399-30-0 structure
Product Name:1,3,5-Triazine, 2,4,6-tris([1,1':3',1''-terphenyl]-5'-yl)-
CAS No:645399-30-0
MF:C57H39N3
MW:765.939673662186
CID:422999
PubChem ID:58943191
Update Time:2025-04-19

1,3,5-Triazine, 2,4,6-tris([1,1':3',1''-terphenyl]-5'-yl)- Chemical and Physical Properties

Names and Identifiers

    • 1,3,5-Triazine, 2,4,6-tris([1,1':3',1''-terphenyl]-5'-yl)-
    • 2,4,6-tris(3,5-diphenylphenyl)-1,3,5-triazine
    • DTXSID70730665
    • SCHEMBL76773
    • 645399-30-0
    • 2,4,6-Tri([1~1~,2~1~:2~3~,3~1~-terphenyl]-2~5~-yl)-1,3,5-triazine
    • Inchi： 1S/C57H39N3/c1-7-19-40(20-8-1)46-31-47(41-21-9-2-10-22-41)35-52(34-46)55-58-56(53-36-48(42-23-11-3-12-24-42)32-49(37-53)43-25-13-4-14-26-43)60-57(59-55)54-38-50(44-27-15-5-16-28-44)33-51(39-54)45-29-17-6-18-30-45/h1-39H
    • InChI Key： TXTLZKILDFBARK-UHFFFAOYSA-N
    • SMILES： N1C(C2C=C(C3C=CC=CC=3)C=C(C3C=CC=CC=3)C=2)=NC(C2C=C(C3C=CC=CC=3)C=C(C3C=CC=CC=3)C=2)=NC=1C1C=C(C2C=CC=CC=2)C=C(C2C=CC=CC=2)C=1

Computed Properties

  • Exact Mass: 765.31467
  • Monoisotopic Mass: 765.314398257g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 60
  • Rotatable Bond Count: 9
  • Complexity: 1000
  • 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: 14.7
  • Topological Polar Surface Area: 38.7?2

Experimental Properties

  • PSA: 38.67

1,3,5-Triazine, 2,4,6-tris([1,1':3',1''-terphenyl]-5'-yl)- Related Literature

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