Cas no 919791-84-7 (Pyrene, 1,1'-[3'-(10-phenyl-9-anthracenyl)[1,1'-biphenyl]-3,5-diyl]bis-)

Pyrene, 1,1'-[3'-(10-phenyl-9-anthracenyl)[1,1'-biphenyl]-3,5-diyl]bis- structure
919791-84-7 structure
Product Name:Pyrene, 1,1'-[3'-(10-phenyl-9-anthracenyl)[1,1'-biphenyl]-3,5-diyl]bis-
CAS No:919791-84-7
MF:C64H38
MW:806.986536502838
CID:760888
PubChem ID:57757314
Update Time:2025-04-19

Pyrene, 1,1'-[3'-(10-phenyl-9-anthracenyl)[1,1'-biphenyl]-3,5-diyl]bis- Chemical and Physical Properties

Names and Identifiers

    • Pyrene, 1,1'-[3'-(10-phenyl-9-anthracenyl)[1,1'-biphenyl]-3,5-diyl]bis-
    • 1-[3-[3-(10-phenylanthracen-9-yl)phenyl]-5-pyren-1-ylphenyl]pyrene
    • 919791-84-7
    • DTXSID60727847
    • 1,1'-[3'-(10-Phenylanthracen-9-yl)[1,1'-biphenyl]-3,5-diyl]dipyrene
    • Inchi: 1S/C64H38/c1-2-11-39(12-3-1)61-53-19-4-6-21-55(53)62(56-22-7-5-20-54(56)61)47-18-10-17-46(35-47)48-36-49(51-31-27-44-25-23-40-13-8-15-42-29-33-57(51)63(44)59(40)42)38-50(37-48)52-32-28-45-26-24-41-14-9-16-43-30-34-58(52)64(45)60(41)43/h1-38H
    • InChI Key: YFBGFHNUUJLEQL-UHFFFAOYSA-N
    • SMILES: C12C3C=CC4=CC=CC(C=CC=1C(=CC=3)C1C=C(C3C=CC=C(C=3)C3=C5C=CC=CC5=C(C5C=CC=CC=5)C5=CC=CC=C35)C=C(C=1)C1=CC=C3C=CC5=CC=CC6C=CC1=C3C=65)=C24

Computed Properties

  • Exact Mass: 806.297351212g/mol
  • Monoisotopic Mass: 806.297351212g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 64
  • Rotatable Bond Count: 5
  • Complexity: 1490
  • 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: 18.8
  • Topological Polar Surface Area: 0?2
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