Cas no 2869-12-7 (Dibenzo[h,rst]pentaphene,7-methyl-)

Dibenzo[h,rst]pentaphene,7-methyl- structure
2869-12-7 structure
Product Name:Dibenzo[h,rst]pentaphene,7-methyl-
CAS No:2869-12-7
MF:C29H18
MW:366.453227519989
CID:260861
PubChem ID:102345
Update Time:2025-04-19

Dibenzo[h,rst]pentaphene,7-methyl- Chemical and Physical Properties

Names and Identifiers

    • Dibenzo[h,rst]pentaphene,7-methyl-
    • DTXSID10182846
    • BRN 2541302
    • 2869-12-7
    • 7-Methyldibenzo(h,rst)pentaphene
    • Dibenzo(h,rst)pentaphene, 7-methyl-
    • 2'-Methyl-1,2:4,5:8,9-tribenzopyrene
    • Inchi: 1S/C29H18/c1-17-10-11-22-25(14-17)27-16-19-7-3-5-9-21(19)24-13-12-23-20-8-4-2-6-18(20)15-26(22)28(23)29(24)27/h2-16H,1H3
    • InChI Key: LVCRYYLZLNGYDT-UHFFFAOYSA-N
    • SMILES: C12C3=CC=C4C5C=CC=CC=5C=C(C5C=CC(C)=CC=5C1=CC1C=CC=CC3=1)C=24

Computed Properties

  • Exact Mass: 366.14094
  • Monoisotopic Mass: 366.140851
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 0
  • Complexity: 622
  • 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: 8.6

Experimental Properties

  • Density: 1.1742 (estimate)
  • Boiling Point: 432.22°C (rough estimate)
  • Flash Point: 336.4°C
  • Refractive Index: 1.8780 (estimate)
  • PSA: 0
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