Cas no 123358-44-1 (benzo[pqr]tetraphen-4-ylmethanido)

benzo[pqr]tetraphen-4-ylmethanido structure
123358-44-1 structure
Product Name:benzo[pqr]tetraphen-4-ylmethanido
CAS No:123358-44-1
MF:C21H13
MW:265.327925443649
CID:1218256
PubChem ID:56841056
Update Time:2025-04-20

benzo[pqr]tetraphen-4-ylmethanido Chemical and Physical Properties

Names and Identifiers

    • benzo[pqr]tetraphen-4-ylmethanido
    • Methylium, benzo[a]pyren-4-yl-
    • Inchi: 1S/C21H13/c1-13-11-16-12-15-5-2-3-7-18(15)19-10-9-14-6-4-8-17(13)20(14)21(16)19/h2-12H,1H2/q+1
    • InChI Key: OREHNTZEZDMEHL-UHFFFAOYSA-N
    • SMILES: C12C3C=C([CH2+])C4=CC=CC(=CC=C1C1C=CC=CC=1C=3)C=24

Computed Properties

  • Exact Mass: 265.10179
  • Monoisotopic Mass: 265.101725
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 0
  • Complexity: 399
  • 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
  • Topological Polar Surface Area: 0
  • XLogP3: 6.6

Experimental Properties

  • Boiling Point: 479.4°C at 760 mmHg
  • Flash Point: 236.7°C
  • PSA: 0
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