cobalt(3+);bis(4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine);tetraphenylboranuide

C54H52BCoN6O4 — CID 139139828

IUPACcobalt(3+);bis(4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine);tetraphenylboranuide
SMILESCC1(C)COC(c2ccccn2)(c2ccccn2)N1[O-].CC1(C)COC(c2ccccn2)(c2ccccn2)N1[O-].[Co+3].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.2C15H16N3O2.Co/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2*1-14(2)11-20-15(18(14)19,12-7-3-5-9-16-12)13-8-4-6-10-17-13;/h1-20H;2*3-10H,11H2,1-2H3;/q3*-1;+3
InChIKeySKHZCVAAFTZTGH-UHFFFAOYSA-N
MW918.79 g/mol
LogP7.63
Rot. Bonds8

About cobalt(3+);bis(4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine);tetraphenylboranuide

cobalt(3+);bis(4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine);tetraphenylboranuide (PubChem CID 139139828) has the molecular formula C54H52BCoN6O4 and a molecular weight of 918.79 g/mol. Its IUPAC name is cobalt(3+);bis(4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine);tetraphenylboranuide.

Molecular Properties

Compound Namecobalt(3+);bis(4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine);tetraphenylboranuide
PubChem CID139139828
Molecular FormulaC54H52BCoN6O4
Molecular Weight918.79 g/mol
Exact Mass918.35
IUPAC Namecobalt(3+);bis(4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine);tetraphenylboranuide
SMILESCC1(C)COC(c2ccccn2)(c2ccccn2)N1[O-].CC1(C)COC(c2ccccn2)(c2ccccn2)N1[O-].[Co+3].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.2C15H16N3O2.Co/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2*1-14(2)11-20-15(18(14)19,12-7-3-5-9-16-12)13-8-4-6-10-17-13;/h1-20H;2*3-10H,11H2,1-2H3;/q3*-1;+3
InChIKeySKHZCVAAFTZTGH-UHFFFAOYSA-N
XLogP7.63
TPSA122.62 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.79
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

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
Cobalt;bis(4,4-dimethyl-2,2-dipyridin-2-yl-1,3-oxazolidin-3-ium 3-oxide);dinitrate
CID 139139827
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
Bis(acetonitrile);cobalt(2+);2-[methoxy(dipyridin-2-yl)methyl]-6-pyridin-2-ylpyridine;oxolane;dihexafluorophosphate
CID 139181335
tetracopper;N-[(S)-methoxy(pyridin-2-yl)methyl]-N-methyl-2-pyridin-2-ylethanamine;N-[(R)-methoxy(pyridin-2-yl)methyl]-N-methyl-2-pyridin-2-ylethanamine;octaazide
CID 168337582

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);bis(4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine);tetraphenylboranuide?
The IUPAC name of cobalt(3+);bis(4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine);tetraphenylboranuide (CID 139139828) is cobalt(3+);bis(4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine);tetraphenylboranuide.
What is the SMILES notation for cobalt(3+);bis(4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine);tetraphenylboranuide?
The canonical SMILES for cobalt(3+);bis(4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine);tetraphenylboranuide is CC1(C)COC(c2ccccn2)(c2ccccn2)N1[O-].CC1(C)COC(c2ccccn2)(c2ccccn2)N1[O-].[Co+3].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of cobalt(3+);bis(4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine);tetraphenylboranuide?
The InChIKey is SKHZCVAAFTZTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20B.2C15H16N3O2.Co/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2*1-14(2)11-20-15(18(14)19,12-7-3-5-9-16-12)13-8-4-6-10-17-13;/h1-20H;2*3-10H,11H2,1-2H3;/q3*-1;+3.
What are the key properties of cobalt(3+);bis(4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine);tetraphenylboranuide?
cobalt(3+);bis(4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine);tetraphenylboranuide has a molecular weight of 918.79 g/mol, XLogP of 7.63, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);bis(4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine);tetraphenylboranuide is sourced from PubChem (CID 139139828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).