5,6-dihydropyrazino[1,2,3,4-lmn]-1,10-phenanthrolinium | SBID = 1369 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 2
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
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: aromatic, cation, typical guest, charged
  • Name: 5,6-dihydropyrazino[1,2,3,4-lmn]-1,10-phenanthrolinium
  • Preferred Abbreviation: 5,6-dihydropyrazino[1,2,3,4-lmn]-1,10-phenanthrolinium
  • IUPAC Name:
  • CAS:
  • CID: -495
  • 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=C(C([N+](CC3)=CC=C4)=C4C=C2)[N+]3=CC=C1