2,7-dimethyldiazapyrenium | SBID = 39 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 155
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 2.0
Number of H-Bond Donors:
Number of H-Bond Acceptors:
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C16H14N2++
M / g/mol: 234.3
Complexity:
Number of Conformers:

Identifiers

  • Tags: aromatic, cation, typical guest, dye, charged
  • Name: 2,7-dimethyldiazapyrenium
  • Preferred Abbreviation: MDAP
  • IUPAC Name: 2,7-dimethylbenzo[lmn][3,8]phenanthroline-2,7-diium
  • CAS:
  • CID: -2
  • InChiKey: ZJEOBPGPKVKVEZ-UHFFFAOYSA-N
  • InChi: InChI=1S/C16H14N2/c1-17-7-11-3-5-13-9-18(2)10-14-6-4-12(8-17)15(11)16(13)14/h3-10H,1-2H3/q+2
  • CanoSmiles: C[N+]1=CC2=C3C4=C(C=[N+](C)C=C4C=CC3=C1)C=C2
  • IsoSmiles: C[N+]1=CC2=C3C4=C(C=[N+](C)C=C4C=CC3=C1)C=C2