5,6-dihydropyrazino[1,2,3,4-lmn][1,10]phenanthroline-4,7-diium | SBID = 2553 | Compound | Custom Molecule

Struc Structure

Download Image

Molecular Properties

Interactions: 5
PubChem TPSA/Å2:
Ertl TPSA/Å2: 7.76
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 2.36
Charge: 2.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C14H12N2++
M / g/mol: 208.25848
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: 5,6-dihydropyrazino[1,2,3,4-lmn][1,10]phenanthroline-4,7-diium
  • Preferred Abbreviation: 5,6-dihydropyrazino[1,2,3,4-lmn][1,10]phenanthroline-4,7-diium
  • IUPAC Name:
  • CAS:
  • CID: -1113
  • InChiKey: PUSYDLRAPRZFQW-UHFFFAOYSA-N
  • InChi: InChI=1S/C14H12N2/c1-3-11-5-6-12-4-2-8-16-10-9-15(7-1)13(11)14(12)16/h1-8H,9-10H2/q+2
  • CanoSmiles: c1c[n+]2CC[n+]3c4c2c(c1)ccc4ccc3
  • IsoSmiles: C12=CC=C[N+](CC3)=C1C4=[N+]3C=CC=C4C=C2