Cas no 81979-65-9 ([1,1':4',1'':3'',1''':4''',1''''-Quinquephenyl]-2''-ol)

[1,1':4',1'':3'',1''':4''',1''''-Quinquephenyl]-2''-ol structure
81979-65-9 structure
Product Name:[1,1':4',1'':3'',1''':4''',1''''-Quinquephenyl]-2''-ol
CAS No:81979-65-9
MF:C30H22O
MW:398.495088100433
CID:702426
PubChem ID:12895962
Update Time:2025-04-19

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

Names and Identifiers

    • [1,1':4',1'':3'',1''':4''',1''''-Quinquephenyl]-2''-ol
    • 2,6-bis(4-phenylphenyl)phenol
    • [1~1~,2~1~:2~4~,3~1~:3~3~,4~1~:4~4~,5~1~-Quinquephenyl]-3~2~-ol
    • DTXSID00512496
    • 81979-65-9
    • Inchi: 1S/C30H22O/c31-30-28(26-18-14-24(15-19-26)22-8-3-1-4-9-22)12-7-13-29(30)27-20-16-25(17-21-27)23-10-5-2-6-11-23/h1-21,31H
    • InChI Key: NIVRMVMOFUMBOD-UHFFFAOYSA-N
    • SMILES: OC1C(=CC=CC=1C1C=CC(C2C=CC=CC=2)=CC=1)C1C=CC(C2C=CC=CC=2)=CC=1

Computed Properties

  • Exact Mass: 398.167065321g/mol
  • Monoisotopic Mass: 398.167065321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 4
  • Complexity: 469
  • 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: 8.1
  • Topological Polar Surface Area: 20.2?2
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