bis(4,4-dimethyl-2,2-dipyridin-2-yl-1,3-oxazolidin-3-ium 3-oxide);bis(4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine);bis(iron(2+));tetratetrafluoroborate

C60H64B4F16Fe2N12O8 — CID 139135581

IUPACbis(4,4-dimethyl-2,2-dipyridin-2-yl-1,3-oxazolidin-3-ium 3-oxide);bis(4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine);bis(iron(2+));tetratetrafluoroborate
SMILESCC1(C)COC(c2ccccn2)(c2ccccn2)N1[O-].CC1(C)COC(c2ccccn2)(c2ccccn2)N1[O-].CC1(C)COC(c2ccccn2)(c2ccccn2)[N+]1=O.CC1(C)COC(c2ccccn2)(c2ccccn2)[N+]1=O.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[Fe+2].[Fe+2]
InChIInChI=1S/4C15H16N3O2.4BF4.2Fe/c4*1-14(2)11-20-15(18(14)19,12-7-3-5-9-16-12)13-8-4-6-10-17-13;4*2-1(3,4)5;;/h4*3-10H,11H2,1-2H3;;;;;;/q2*-1;2*+1;4*-1;2*+2
InChIKeyRDNQLJYXLGALGT-UHFFFAOYSA-N
MW1540.15 g/mol
LogP14.30
Rot. Bonds8

About bis(4,4-dimethyl-2,2-dipyridin-2-yl-1,3-oxazolidin-3-ium 3-oxide);bis(4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine);bis(iron(2+));tetratetrafluoroborate

bis(4,4-dimethyl-2,2-dipyridin-2-yl-1,3-oxazolidin-3-ium 3-oxide);bis(4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine);bis(iron(2+));tetratetrafluoroborate (PubChem CID 139135581) has the molecular formula C60H64B4F16Fe2N12O8 and a molecular weight of 1540.15 g/mol. Its IUPAC name is bis(4,4-dimethyl-2,2-dipyridin-2-yl-1,3-oxazolidin-3-ium 3-oxide);bis(4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine);bis(iron(2+));tetratetrafluoroborate.

Molecular Properties

Compound Namebis(4,4-dimethyl-2,2-dipyridin-2-yl-1,3-oxazolidin-3-ium 3-oxide);bis(4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine);bis(iron(2+));tetratetrafluoroborate
PubChem CID139135581
Molecular FormulaC60H64B4F16Fe2N12O8
Molecular Weight1540.15 g/mol
Exact Mass1540.38
IUPAC Namebis(4,4-dimethyl-2,2-dipyridin-2-yl-1,3-oxazolidin-3-ium 3-oxide);bis(4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine);bis(iron(2+));tetratetrafluoroborate
SMILESCC1(C)COC(c2ccccn2)(c2ccccn2)N1[O-].CC1(C)COC(c2ccccn2)(c2ccccn2)N1[O-].CC1(C)COC(c2ccccn2)(c2ccccn2)[N+]1=O.CC1(C)COC(c2ccccn2)(c2ccccn2)[N+]1=O.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[Fe+2].[Fe+2]
InChIInChI=1S/4C15H16N3O2.4BF4.2Fe/c4*1-14(2)11-20-15(18(14)19,12-7-3-5-9-16-12)13-8-4-6-10-17-13;4*2-1(3,4)5;;/h4*3-10H,11H2,1-2H3;;;;;;/q2*-1;2*+1;4*-1;2*+2
InChIKeyRDNQLJYXLGALGT-UHFFFAOYSA-N
XLogP14.30
TPSA232.80 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001540.15
LogP ≤ 514.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze bis(4,4-dimethyl-2,2-dipyridin-2-yl-1,3-oxazolidin-3-ium 3-oxide);bis(4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine);bis(iron(2+));tetratetrafluoroborate with MolForge

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Related Compounds

Cobalt;bis(4,4-dimethyl-2,2-dipyridin-2-yl-1,3-oxazolidin-3-ium 3-oxide);dinitrate
CID 139139827
Cobalt(3+);bis(4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine);tetraphenylboranuide
CID 139139828
Cobalt;dichloromethane;bis(4,4-dimethyl-2,2-dipyridin-2-yl-1,3-oxazolidin-3-ium 3-oxide);bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 139141105
Tetracopper;tetrakis(methoxy(dipyridin-2-yl)methanolate);tetrakis(2-pyridin-2-ylpyridine);tetrahexafluorophosphate;dihydrate
CID 139036926

Frequently Asked Questions

What is the IUPAC name of bis(4,4-dimethyl-2,2-dipyridin-2-yl-1,3-oxazolidin-3-ium 3-oxide);bis(4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine);bis(iron(2+));tetratetrafluoroborate?
The IUPAC name of bis(4,4-dimethyl-2,2-dipyridin-2-yl-1,3-oxazolidin-3-ium 3-oxide);bis(4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine);bis(iron(2+));tetratetrafluoroborate (CID 139135581) is bis(4,4-dimethyl-2,2-dipyridin-2-yl-1,3-oxazolidin-3-ium 3-oxide);bis(4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine);bis(iron(2+));tetratetrafluoroborate.
What is the SMILES notation for bis(4,4-dimethyl-2,2-dipyridin-2-yl-1,3-oxazolidin-3-ium 3-oxide);bis(4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine);bis(iron(2+));tetratetrafluoroborate?
The canonical SMILES for bis(4,4-dimethyl-2,2-dipyridin-2-yl-1,3-oxazolidin-3-ium 3-oxide);bis(4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine);bis(iron(2+));tetratetrafluoroborate is CC1(C)COC(c2ccccn2)(c2ccccn2)N1[O-].CC1(C)COC(c2ccccn2)(c2ccccn2)N1[O-].CC1(C)COC(c2ccccn2)(c2ccccn2)[N+]1=O.CC1(C)COC(c2ccccn2)(c2ccccn2)[N+]1=O.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[Fe+2].[Fe+2].
What is the InChIKey of bis(4,4-dimethyl-2,2-dipyridin-2-yl-1,3-oxazolidin-3-ium 3-oxide);bis(4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine);bis(iron(2+));tetratetrafluoroborate?
The InChIKey is RDNQLJYXLGALGT-UHFFFAOYSA-N. The full InChI is InChI=1S/4C15H16N3O2.4BF4.2Fe/c4*1-14(2)11-20-15(18(14)19,12-7-3-5-9-16-12)13-8-4-6-10-17-13;4*2-1(3,4)5;;/h4*3-10H,11H2,1-2H3;;;;;;/q2*-1;2*+1;4*-1;2*+2.
What are the key properties of bis(4,4-dimethyl-2,2-dipyridin-2-yl-1,3-oxazolidin-3-ium 3-oxide);bis(4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine);bis(iron(2+));tetratetrafluoroborate?
bis(4,4-dimethyl-2,2-dipyridin-2-yl-1,3-oxazolidin-3-ium 3-oxide);bis(4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine);bis(iron(2+));tetratetrafluoroborate has a molecular weight of 1540.15 g/mol, XLogP of 14.30, 8 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,4-dimethyl-2,2-dipyridin-2-yl-1,3-oxazolidin-3-ium 3-oxide);bis(4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine);bis(iron(2+));tetratetrafluoroborate is sourced from PubChem (CID 139135581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).