Cas no 81-26-5 ([1,1'-Bianthracene]-9,9',10,10'-tetrone,2,2'-dimethyl-)

[1,1'-Bianthracene]-9,9',10,10'-tetrone,2,2'-dimethyl- structure
81-26-5 structure
Product Name:[1,1'-Bianthracene]-9,9',10,10'-tetrone,2,2'-dimethyl-
CAS No:81-26-5
MF:C30H18O4
MW:442.461528301239
CID:722294
PubChem ID:6677
Update Time:2025-04-19

[1,1'-Bianthracene]-9,9',10,10'-tetrone,2,2'-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Bianthracene]-9,9',10,10'-tetrone,2,2'-dimethyl-
    • 2,2'-dimethyl-1,1'-bianthraquinone
    • 2-methyl-1-(2-methyl-9,10-dioxoanthracen-1-yl)anthracene-9,10-dione
    • 1,1'-Bianthraquinone,2,2'-dimethyl-(6CI,8CI)
    • 1,1'-bis(2-methylanthraquinone)
    • 2,2'-Dimethyl-[1,1']bianthryl-9,10,9',10'-tetraon
    • 2,2'-dimethyl-[1,1']bianthryl-9,10,9',10'-tetraone
    • 2.2'-Dimethyl-dianthrachinonyl-(1.1')
    • 2.2'-Dimethyl-dianthryl-(1.1')-dichinon-(9.10,9'.10')
    • Bis-(2-methyl-anthrachinon-(9.10)-yl-(1))
    • Dichinyl
    • Dimethyldianthronyl
    • EINECS 201-338-3
    • F1091-0020
    • 2,1'-bianthracene-9,9',10,10'-tetrone
    • NSC 7230
    • NSC7230
    • 2-methyl-1-(2-methyl-9,10-dioxo-1-anthryl)anthracene-9,10-dione
    • NSC-7230
    • NSC667253
    • DTXSID1058840
    • 2,2'-DIMETHYL(1,1'-BIANTHRACENE)-9,9',10,10'-TETRONE
    • (1,1'-Bianthracene)-9,9',10,10'-tetrone, 2,2'-dimethyl-
    • 2,2'-Dimethyl-1,1'-bianthracene-9,9',10,10'-tetrone
    • 4,4'-BIS(3-METHYLANTHRAQUINONE)
    • NSC-667253
    • 4-07-00-02895 (Beilstein Handbook Reference)
    • 1,1'-Bianthraquinone, 2,2'-dimethyl-
    • BRN 3178213
    • 1,9',10,10'-tetraone, 2,2'-dimethyl-
    • 2,1'-bianthraquinone
    • NS00038113
    • AKOS001661385
    • W-109284
    • 1,1'-BIANTHRACENE-9,9',10,10'-TETRAONE, 2,2'-DIMETHYL-
    • 7NIQ301EP9
    • [1,1'-Bianthracene]-9,9',10,10'-tetrone, 2,2'-dimethyl-
    • SCHEMBL769353
    • 81-26-5
    • [1,9',10,10'-tetrone, 2,2'-dimethyl-
    • 2,2'-dimethyl-[1,1'-bianthracene]-9,9',10,10'-tetraone
    • WLN: L C666 BV IVJ E1 D- DL C666 BV IVJ E1
    • UNII-7NIQ301EP9
    • 2,2'-DIMETHYL-9H,9'H,10H,10'H-[1,1'-BIANTHRACENE]-9,9',10,10'-TETRONE
    • Inchi： 1S/C30H18O4/c1-15-11-13-21-25(29(33)19-9-5-3-7-17(19)27(21)31)23(15)24-16(2)12-14-22-26(24)30(34)20-10-6-4-8-18(20)28(22)32/h3-14H,1-2H3
    • InChI Key： SOHQSWHUIQYXPT-UHFFFAOYSA-N
    • SMILES： O=C1C2C=CC=CC=2C(C2C=CC(C)=C(C=21)C1=C(C)C=CC2C(C3C=CC=CC=3C(C1=2)=O)=O)=O

Computed Properties

  • Exact Mass: 442.12100
  • Monoisotopic Mass: 442.12050905g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 1
  • Complexity: 818
  • 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: 6.2
  • Topological Polar Surface Area: 68.3?2

Experimental Properties

  • Density: 1.1486 (rough estimate)
  • Boiling Point: 513.08°C (rough estimate)
  • Refractive Index: 1.6400 (estimate)
  • PSA: 68.28000
  • LogP: 5.52120

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