Cas no 921599-46-4 (1-[2,2-Di([1,1'-biphenyl]-4-yl)ethenyl]pyrene)

1-[2,2-Di([1,1'-biphenyl]-4-yl)ethenyl]pyrene structure
921599-46-4 structure
Product Name:1-[2,2-Di([1,1'-biphenyl]-4-yl)ethenyl]pyrene
CAS No:921599-46-4
MF:C42H28
MW:532.671730995178
CID:744413
Update Time:2023-08-03

1-[2,2-Di([1,1'-biphenyl]-4-yl)ethenyl]pyrene Chemical and Physical Properties

Names and Identifiers

    • Pyrene, 1-[2,2-bis([1,1'-biphenyl]-4-yl)ethenyl]-
    • 1-[2,2-bis(4-phenylphenyl)ethenyl]pyrene
    • 1-[2,2-Di([1,1'-biphenyl]-4-yl)ethenyl]pyrene
    • Inchi: 1S/C42H28/c1-3-8-29(9-4-1)31-14-18-33(19-15-31)40(34-20-16-32(17-21-34)30-10-5-2-6-11-30)28-38-25-24-37-23-22-35-12-7-13-36-26-27-39(38)42(37)41(35)36/h1-28H
    • InChI Key: QYLKSFRQXUUJJD-UHFFFAOYSA-N
    • SMILES: C12C3=CC=C(/C=C(\C4C=CC(C5C=CC=CC=5)=CC=4)/C4C=CC(C5C=CC=CC=5)=CC=4)C1=CC=C1C=CC=C(C=C3)C=21

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 42
  • Rotatable Bond Count: 5
  • Complexity: 845
  • Topological Polar Surface Area: 0
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