Cas no 61579-80-4 (1,1':4',1'':2'',1''':4''',1''''-Quinquephenyl, 3''-[1,1'-biphenyl]-4-yl-)

1,1':4',1'':2'',1''':4''',1''''-Quinquephenyl, 3''-[1,1'-biphenyl]-4-yl- structure
61579-80-4 structure
Product Name:1,1':4',1'':2'',1''':4''',1''''-Quinquephenyl, 3''-[1,1'-biphenyl]-4-yl-
CAS No:61579-80-4
MF:C42H30
MW:534.687611103058
CID:474099
PubChem ID:71394409
Update Time:2025-04-19

1,1':4',1'':2'',1''':4''',1''''-Quinquephenyl, 3''-[1,1'-biphenyl]-4-yl- Chemical and Physical Properties

Names and Identifiers

    • 1,1':4',1'':2'',1''':4''',1''''-Quinquephenyl, 3''-[1,1'-biphenyl]-4-yl-
    • 1,2,3-tris(4-phenylphenyl)benzene
    • DTXSID20816105
    • 61579-80-4
    • Inchi： 1S/C42H30/c1-4-11-31(12-5-1)34-19-25-37(26-20-34)40-17-10-18-41(38-27-21-35(22-28-38)32-13-6-2-7-14-32)42(40)39-29-23-36(24-30-39)33-15-8-3-9-16-33/h1-30H
    • InChI Key： LHZBDDHPYWSXOV-UHFFFAOYSA-N
    • SMILES： C1(C2C=CC(C3C=CC=CC=3)=CC=2)=C(C=CC=C1C1C=CC(C2C=CC=CC=2)=CC=1)C1C=CC(C2C=CC=CC=2)=CC=1

Computed Properties

  • Exact Mass: 534.2349
  • Monoisotopic Mass: 534.234750957g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 42
  • Rotatable Bond Count: 6
  • Complexity: 710
  • 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: 12.5
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 0

1,1':4',1'':2'',1''':4''',1''''-Quinquephenyl, 3''-[1,1'-biphenyl]-4-yl- Related Literature

61579-80-4 (1,1':4',1'':2'',1''':4''',1''''-Quinquephenyl, 3''-[1,1'-biphenyl]-4-yl-) Related Products

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