Cas no 1352166-93-8 (7-(4-bromophenyl)dibenzo[c,h]acridine)

7-(4-Bromophenyl)dibenzo[c,h]acridine is a polycyclic aromatic hydrocarbon (PAH) derivative featuring a dibenzoacridine core substituted with a 4-bromophenyl group. This compound is of interest in materials science and organic chemistry due to its extended π-conjugated system, which contributes to its potential applications in optoelectronic materials and organic semiconductors. The bromine substituent enhances its reactivity, making it a versatile intermediate for further functionalization via cross-coupling reactions such as Suzuki or Buchwald-Hartwig couplings. Its rigid, planar structure also lends itself to studies in molecular stacking and photophysical properties. The compound is typically utilized in research settings for developing advanced organic materials with tailored electronic characteristics.
7-(4-bromophenyl)dibenzo[c,h]acridine structure
1352166-93-8 structure
Product Name:7-(4-bromophenyl)dibenzo[c,h]acridine
CAS No:1352166-93-8
MF:C27H16BrN
MW:434.326645851135
CID:1243655
PubChem ID:86691486
Update Time:2025-05-27

7-(4-bromophenyl)dibenzo[c,h]acridine Chemical and Physical Properties

Names and Identifiers

    • 7-(4-bromophenyl)dibenzo[c,h]acridine
    • SCHEMBL14994072
    • AVGDZCYDQIWNTK-UHFFFAOYSA-N
    • 13-(4-bromophenyl)-2-azapentacyclo[12.8.0.0(3),(1)(2).0?,?.0(1)?,(2)(2)]docosa-1,3(12),4(9),5,7,10,13,15,17(22),18,20-undecaene
    • 1352166-93-8
    • Dibenz[c,h]acridine, 7-(4-bromophenyl)-
    • G63962
    • 7-(4-Bromophenyl)dibenz[c,h]acridine
    • DB-263996
    • Inchi： 1S/C27H16BrN/c28-20-13-9-19(10-14-20)25-23-15-11-17-5-1-3-7-21(17)26(23)29-27-22-8-4-2-6-18(22)12-16-24(25)27/h1-16H
    • InChI Key： AVGDZCYDQIWNTK-UHFFFAOYSA-N
    • SMILES： BrC1C=CC(=CC=1)C1C2C=CC3C=CC=CC=3C=2N=C2C3C=CC=CC=3C=CC=12

Computed Properties

  • Exact Mass: 433.04661g/mol
  • Monoisotopic Mass: 433.04661g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 1
  • Complexity: 531
  • 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: 8.3
  • Topological Polar Surface Area: 12.9?2

Experimental Properties

  • Density: 1.444±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Insuluble (1.4E-7 g/L) (25 oC),

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