Cas no 6548-33-0 (19-Bromo-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16(21),17,19,22-undecaene-3,10-dione)

19-Bromo-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16(21),17,19,22-undecaene-3,10-dione structure
6548-33-0 structure
Product Name:19-Bromo-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16(21),17,19,22-undecaene-3,10-dione
CAS No:6548-33-0
MF:C24H12BrNO2
MW:426.261585235596
CID:2672041
Update Time:2023-08-06

19-Bromo-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16(21),17,19,22-undecaene-3,10-dione Chemical and Physical Properties

Names and Identifiers

    • 2-Bromo-13H-benzo[g]naphtho[2,3-a]carbazole-7,12-dione
    • C.I.66705
    • 19-Bromo-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16(2
    • 19-Bromo-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16(21),17,19,22-undecaene-3,10-dione
    • Inchi: 1S/C24H12BrNO2/c25-13-6-7-14-12(11-13)5-10-19-20(14)17-8-9-18-21(22(17)26-19)24(28)16-4-2-1-3-15(16)23(18)27/h1-11,26H
    • InChI Key: OPVMCEBOYFHSOU-UHFFFAOYSA-N
    • SMILES: BrC1C=CC2=C(C=1)C=CC1=C2C2C=CC3C(C4C=CC=CC=4C(C=3C=2N1)=O)=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 0
  • Complexity: 680
  • Topological Polar Surface Area: 49.9
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