Cas no 88229-85-0 (1,1':3',1'':3'',1''':3''',1'''':3'''',1'''''-Sexiphenyl, 2,2',2'',2''',2'''',2'''''-hexafluoro-)

1,1':3',1'':3'',1''':3''',1'''':3'''',1'''''-Sexiphenyl, 2,2',2'',2''',2'''',2'''''-hexafluoro- structure
88229-85-0 structure
Product Name:1,1':3',1'':3'',1''':3''',1'''':3'''',1'''''-Sexiphenyl, 2,2',2'',2''',2'''',2'''''-hexafluoro-
CAS No:88229-85-0
MF:C36H20F6
MW:566.534430503845
CID:640471
PubChem ID:13230583
Update Time:2025-04-19

1,1':3',1'':3'',1''':3''',1'''':3'''',1'''''-Sexiphenyl, 2,2',2'',2''',2'''',2'''''-hexafluoro- Chemical and Physical Properties

Names and Identifiers

    • 1,1':3',1'':3'',1''':3''',1'''':3'''',1'''''-Sexiphenyl, 2,2',2'',2''',2'''',2'''''-hexafluoro-
    • 2-fluoro-1-[2-fluoro-3-[2-fluoro-3-[2-fluoro-3-(2-fluorophenyl)phenyl]phenyl]phenyl]-3-(2-fluorophenyl)benzene
    • 88229-85-0
    • DTXSID60530459
    • 1~2~,2~2~,3~2~,4~2~,5~2~,6~2~-Hexafluoro-1~1~,2~1~:2~3~,3~1~:3~3~,4~1~:4~3~,5~1~:5~3~,6~1~-sexiphenyl
    • Inchi: 1S/C36H20F6/c37-31-19-3-1-9-21(31)23-11-5-13-25(33(23)39)27-15-7-17-29(35(27)41)30-18-8-16-28(36(30)42)26-14-6-12-24(34(26)40)22-10-2-4-20-32(22)38/h1-20H
    • InChI Key: VUMYNCBHZBWWTR-UHFFFAOYSA-N
    • SMILES: FC1C(=CC=CC=1C1C=CC=C(C=1F)C1C=CC=C(C2C=CC=CC=2F)C=1F)C1C=CC=C(C2C=CC=CC=2F)C=1F

Computed Properties

  • Exact Mass: 566.14691961g/mol
  • Monoisotopic Mass: 566.14691961g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 42
  • Rotatable Bond Count: 5
  • Complexity: 785
  • 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: 10.7
  • Topological Polar Surface Area: 0?2
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