4,4'-Dimethylviologen bis(hexafluorophosphate) | SBID = 1852 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 0
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 14.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C12H14F12N2P2
M / g/mol: 476.1813204
Complexity:
Number of Conformers:

Identifiers

  • Tags: aromatic, dye, typical guest, charged
  • Name: 4,4'-Dimethylviologen bis(hexafluorophosphate)
  • Preferred Abbreviation: Methyl viologen hexafluorophosphate
  • IUPAC Name:
  • CAS: 67994-95-0
  • CID: -773
  • InChiKey: LHYVJHYTMWDUFJ-UHFFFAOYSA-N
  • InChi: InChI=1S/C12H14N2.2F6P/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;2*1-7(2,3,4,5)6/h3-10H,1-2H3;;/q+2;2*-1
  • CanoSmiles: F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.C[n+]1ccc(cc1)c1cc[n+](cc1)C
  • IsoSmiles: C[N+]1=CC=C(C2=CC=[N+](C)C=C2)C=C1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F