2,7-Dimethyldiazaphenanthrenium | SBID = 57 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 5
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: C14H14N2++
M / g/mol: 210.11
Complexity:
Number of Conformers:

Identifiers

  • Tags: aromatic, cation, typical guest, charged
  • Name: 2,7-Dimethyldiazaphenanthrenium
  • Preferred Abbreviation: 2,7-Dimethyldiazaphenanthrenium
  • IUPAC Name: 3,8-dimethyl-3,8-phenanthroline-3,8-diium
  • CAS:
  • CID: -7
  • InChiKey: HGTRVNHMNGQPOQ-UHFFFAOYSA-N
  • InChi: InChI=1S/C14H14N2/c1-15-7-5-13-11(9-15)3-4-12-10-16(2)8-6-14(12)13/h3-10H,1-2H3/q+2
  • CanoSmiles: C[N+]1=CC2=C(C=C1)C3=CC=[N+](C)C=C3C=C2
  • IsoSmiles: C[N+]1=CC2=C(C=C1)C3=CC=[N+](C)C=C3C=C2