Cas no 189-58-2 (anthra[9,1,2-cde]benzo[h]cinnoline)

anthra[9,1,2-cde]benzo[h]cinnoline structure
189-58-2 structure
Product Name:anthra[9,1,2-cde]benzo[h]cinnoline
CAS No:189-58-2
MF:C22H12N2
MW:304.344084739685
CID:907639
PubChem ID:9107
Update Time:2025-04-19

anthra[9,1,2-cde]benzo[h]cinnoline Chemical and Physical Properties

Names and Identifiers

    • anthra[9,1,2-cde]benzo[h]cinnoline
    • 1,2-Diaza-3,4:9,10-dibenzpyrene
    • 1,4:9,10-dibenzpyrene
    • AC1L1SBY
    • ANTHRA(9,1,2-cde)BENZO(h)CINNOLINE
    • BRN 0027200
    • Dinaphtho(1,2,3-de:3',2',1'-ij)phthalazine
    • NSC30550
    • WLN: T D5 B666 O666 2AB A & ON RNJ
    • 21,22-diazahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(22),2,4,6,8,10,12,14,16,18,20,23-dodecaene
    • 0FR0YL1Z4T
    • DTXSID80172279
    • 189-58-2
    • Dinaphtho[1,3-de:3',2',1'-ij]phthalazine
    • NSC-30550
    • UNII-0FR0YL1Z4T
    • Q27236717
    • Anthra[9,2-cde]benzo[h]cinnoline
    • NSC 30550
    • 4-23-00-02147 (Beilstein Handbook Reference)
    • Inchi: 1S/C22H12N2/c1-3-7-17-13(5-1)11-15-9-10-16-12-14-6-2-4-8-18(14)22-20(16)19(15)21(17)23-24-22/h1-12H
    • InChI Key: COEVWYGSNZUYPJ-UHFFFAOYSA-N
    • SMILES: N1C2C3C=CC=CC=3C=C3C=CC4=CC5C=CC=CC=5C(=C4C3=2)N=1

Computed Properties

  • Exact Mass: 304.10016
  • Monoisotopic Mass: 304.100048391g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 0
  • Complexity: 446
  • 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: 5.6
  • Topological Polar Surface Area: 25.8?2

Experimental Properties

  • Density: 1.1564 (rough estimate)
  • Boiling Point: 435.17°C (rough estimate)
  • Refractive Index: 1.7620 (estimate)
  • PSA: 25.78
  • LogP: 5.68040
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