Cas no 106342-00-1 (5,6,12,13-Tetrachloro-2,9-dimethylanthra2,1,9-def:6,5,10-d'e'f'diisoquinoline-1,3,8,10(2H,9H)-tetraone)

5,6,12,13-Tetrachloro-2,9-dimethylanthra2,1,9-def:6,5,10-d'e'f'diisoquinoline-1,3,8,10(2H,9H)-tetraone structure
106342-00-1 structure
Product Name:5,6,12,13-Tetrachloro-2,9-dimethylanthra2,1,9-def:6,5,10-d'e'f'diisoquinoline-1,3,8,10(2H,9H)-tetraone
CAS No:106342-00-1
MF:C26H10Cl4N2O4
MW:556.180602550507
CID:200000
PubChem ID:46737765
Update Time:2025-04-19

5,6,12,13-Tetrachloro-2,9-dimethylanthra2,1,9-def:6,5,10-d'e'f'diisoquinoline-1,3,8,10(2H,9H)-tetraone Chemical and Physical Properties

Names and Identifiers

    • 5,6,12,13-Tetrachloro-2,9-dimethylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone
    • 1,6,7,10-Tetrachloro-N,N'-dimethylperylenetetracarboxylicbisimide
    • Anthra(2,1,9-def:6,5,10-D'E'F')diisoquinoline-1,3,8,10(2H,9H)-tetrone, 5,6,12,13-tetrachloro-2,9-dimethyl-
    • Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone,5,6,12,13-tetrachloro-2,9-dimethyl-
    • 1,6,7,12-tetrachloro-3,4,9,10-perylenetetracarboxylic acid bis(methylimide)
    • AK101249
    • ANW-60359
    • CTK8B8437
    • KB-244090
    • 11,14,22,26-tetrachloro-7,18-dimethyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
    • DTXSID5073032
    • SCHEMBL12744258
    • 1,6,7,10-Tetrachloro-N,N'-dimethylperylenetetracarboxylic bisimide
    • 106342-00-1
    • Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 5,6,12,13-tetrachloro-2,9-dimethyl-
    • G82811
    • PQGOXPDIJYEGLE-UHFFFAOYSA-N
    • 5,6,12,13-Tetrachloro-2,9-dimethylanthra2,1,9-def:6,5,10-d'e'f'diisoquinoline-1,3,8,10(2H,9H)-tetraone
    • MDL: MFCD11870882
    • Inchi: 1S/C26H10Cl4N2O4/c1-31-23(33)7-3-11(27)17-19-13(29)5-9-16-10(26(36)32(2)25(9)35)6-14(30)20(22(16)19)18-12(28)4-8(24(31)34)15(7)21(17)18/h3-6H,1-2H3
    • InChI Key: PQGOXPDIJYEGLE-UHFFFAOYSA-N
    • SMILES: ClC1C=C2C(N(C)C(C3C=C(C4C5=C(C=C6C(N(C)C(C7C=C(C(C=1C=4C2=3)=C5C=76)Cl)=O)=O)Cl)Cl)=O)=O

Computed Properties

  • Exact Mass: 553.9397
  • Monoisotopic Mass: 553.939
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 0
  • Complexity: 915
  • 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: 74.8A^2
  • XLogP3: 6.2

Experimental Properties

  • PSA: 74.76
  • LogP: 5.65060

5,6,12,13-Tetrachloro-2,9-dimethylanthra2,1,9-def:6,5,10-d'e'f'diisoquinoline-1,3,8,10(2H,9H)-tetraone Pricemore >>

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