bis(acetonitrile);cobalt(2+);2-[methoxy(dipyridin-2-yl)methyl]-6-pyridin-2-ylpyridine;oxolane;dihexafluorophosphate

C30H32CoF12N6O2P2 — CID 139181335

IUPACbis(acetonitrile);cobalt(2+);2-[methoxy(dipyridin-2-yl)methyl]-6-pyridin-2-ylpyridine;oxolane;dihexafluorophosphate
SMILESC1CCOC1.CC#N.CC#N.COC(c1ccccn1)(c1ccccn1)c1cccc(-c2ccccn2)n1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Co+2]
InChIInChI=1S/C22H18N4O.C4H8O.2C2H3N.Co.2F6P/c1-27-22(19-11-3-6-15-24-19,20-12-4-7-16-25-20)21-13-8-10-18(26-21)17-9-2-5-14-23-17;1-2-4-5-3-1;2*1-2-3;;2*1-7(2,3,4,5)6/h2-16H,1H3;1-4H2;2*1H3;;;/q;;;;+2;2*-1
InChIKeyZYHXNEWNYCSIMO-UHFFFAOYSA-N
MW857.48 g/mol
LogP12.49
Rot. Bonds5

About bis(acetonitrile);cobalt(2+);2-[methoxy(dipyridin-2-yl)methyl]-6-pyridin-2-ylpyridine;oxolane;dihexafluorophosphate

bis(acetonitrile);cobalt(2+);2-[methoxy(dipyridin-2-yl)methyl]-6-pyridin-2-ylpyridine;oxolane;dihexafluorophosphate (PubChem CID 139181335) has the molecular formula C30H32CoF12N6O2P2 and a molecular weight of 857.48 g/mol. Its IUPAC name is bis(acetonitrile);cobalt(2+);2-[methoxy(dipyridin-2-yl)methyl]-6-pyridin-2-ylpyridine;oxolane;dihexafluorophosphate.

Molecular Properties

Compound Namebis(acetonitrile);cobalt(2+);2-[methoxy(dipyridin-2-yl)methyl]-6-pyridin-2-ylpyridine;oxolane;dihexafluorophosphate
PubChem CID139181335
Molecular FormulaC30H32CoF12N6O2P2
Molecular Weight857.48 g/mol
Exact Mass857.12
IUPAC Namebis(acetonitrile);cobalt(2+);2-[methoxy(dipyridin-2-yl)methyl]-6-pyridin-2-ylpyridine;oxolane;dihexafluorophosphate
SMILESC1CCOC1.CC#N.CC#N.COC(c1ccccn1)(c1ccccn1)c1cccc(-c2ccccn2)n1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Co+2]
InChIInChI=1S/C22H18N4O.C4H8O.2C2H3N.Co.2F6P/c1-27-22(19-11-3-6-15-24-19,20-12-4-7-16-25-20)21-13-8-10-18(26-21)17-9-2-5-14-23-17;1-2-4-5-3-1;2*1-2-3;;2*1-7(2,3,4,5)6/h2-16H,1H3;1-4H2;2*1H3;;;/q;;;;+2;2*-1
InChIKeyZYHXNEWNYCSIMO-UHFFFAOYSA-N
XLogP12.49
TPSA117.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.48
LogP ≤ 512.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[Co(bpyPY2OH)(MeCN)(OTf)](OTf)
CID 139042188
Disilver;bis(2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine);ditetrafluoroborate
CID 139128021
Cobalt(3+);bis(4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine);tetraphenylboranuide
CID 139139828
Acetonitrile;dipyridin-2-yl-(6-pyridin-2-yl-2-pyridinyl)methanol;nickel(2+);diperchlorate
CID 139168671
Acetonitrile;cadmium(2+);dipyridin-2-yl-(6-pyridin-2-yl-2-pyridinyl)methanol;diperchlorate
CID 139168673
Bis(acetonitrile);manganese(2+);pyridin-2-yl-bis(6-pyridin-2-yl-2-pyridinyl)methanol;diperchlorate
CID 139168674
Bis(acetonitrile);iron(2+);pyridin-2-yl-bis(6-pyridin-2-yl-2-pyridinyl)methanol;diperchlorate
CID 139168675
Bis(acetonitrile);cadmium(2+);pyridin-2-yl-bis(6-pyridin-2-yl-2-pyridinyl)methanol;diperchlorate
CID 139168678
ZINC;acetonitrile;2-[methoxy(dipyridin-2-yl)methyl]-6-pyridin-2-ylpyridine;dihexafluorophosphate
CID 139181337
Nickel(3+);tris(pyridine);bis(2-pyridin-2-ylpropan-2-olate);hexafluorophosphate
CID 168306172
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
aqua(2,6-(bis(bis-2-pyridyl0methoxymethane)pyridine)cobalt(II) percloro
CID 168350412

Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);cobalt(2+);2-[methoxy(dipyridin-2-yl)methyl]-6-pyridin-2-ylpyridine;oxolane;dihexafluorophosphate?
The IUPAC name of bis(acetonitrile);cobalt(2+);2-[methoxy(dipyridin-2-yl)methyl]-6-pyridin-2-ylpyridine;oxolane;dihexafluorophosphate (CID 139181335) is bis(acetonitrile);cobalt(2+);2-[methoxy(dipyridin-2-yl)methyl]-6-pyridin-2-ylpyridine;oxolane;dihexafluorophosphate.
What is the SMILES notation for bis(acetonitrile);cobalt(2+);2-[methoxy(dipyridin-2-yl)methyl]-6-pyridin-2-ylpyridine;oxolane;dihexafluorophosphate?
The canonical SMILES for bis(acetonitrile);cobalt(2+);2-[methoxy(dipyridin-2-yl)methyl]-6-pyridin-2-ylpyridine;oxolane;dihexafluorophosphate is C1CCOC1.CC#N.CC#N.COC(c1ccccn1)(c1ccccn1)c1cccc(-c2ccccn2)n1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Co+2].
What is the InChIKey of bis(acetonitrile);cobalt(2+);2-[methoxy(dipyridin-2-yl)methyl]-6-pyridin-2-ylpyridine;oxolane;dihexafluorophosphate?
The InChIKey is ZYHXNEWNYCSIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O.C4H8O.2C2H3N.Co.2F6P/c1-27-22(19-11-3-6-15-24-19,20-12-4-7-16-25-20)21-13-8-10-18(26-21)17-9-2-5-14-23-17;1-2-4-5-3-1;2*1-2-3;;2*1-7(2,3,4,5)6/h2-16H,1H3;1-4H2;2*1H3;;;/q;;;;+2;2*-1.
What are the key properties of bis(acetonitrile);cobalt(2+);2-[methoxy(dipyridin-2-yl)methyl]-6-pyridin-2-ylpyridine;oxolane;dihexafluorophosphate?
bis(acetonitrile);cobalt(2+);2-[methoxy(dipyridin-2-yl)methyl]-6-pyridin-2-ylpyridine;oxolane;dihexafluorophosphate has a molecular weight of 857.48 g/mol, XLogP of 12.49, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);cobalt(2+);2-[methoxy(dipyridin-2-yl)methyl]-6-pyridin-2-ylpyridine;oxolane;dihexafluorophosphate is sourced from PubChem (CID 139181335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).