cobalt(2+);methanol;bis(4-(2-naphthalen-2-yloxyethoxy)-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate

C56H50B2CoF8N6O6 — CID 139173281

IUPACcobalt(2+);methanol;bis(4-(2-naphthalen-2-yloxyethoxy)-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate
SMILESCO.CO.F[B-](F)(F)F.F[B-](F)(F)F.[Co+2].c1ccc(-c2cc(OCCOc3ccc4ccccc4c3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(OCCOc3ccc4ccccc4c3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/2C27H21N3O2.2CH4O.2BF4.Co/c2*1-2-8-21-17-22(12-11-20(21)7-1)31-15-16-32-23-18-26(24-9-3-5-13-28-24)30-27(19-23)25-10-4-6-14-29-25;2*1-2;2*2-1(3,4)5;/h2*1-14,17-19H,15-16H2;2*2H,1H3;;;/q;;;;2*-1;+2
InChIKeyJYBXDIQNRRQTLI-UHFFFAOYSA-N
MW1135.59 g/mol
LogP13.45
Rot. Bonds14

About cobalt(2+);methanol;bis(4-(2-naphthalen-2-yloxyethoxy)-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate

cobalt(2+);methanol;bis(4-(2-naphthalen-2-yloxyethoxy)-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate (PubChem CID 139173281) has the molecular formula C56H50B2CoF8N6O6 and a molecular weight of 1135.59 g/mol. Its IUPAC name is cobalt(2+);methanol;bis(4-(2-naphthalen-2-yloxyethoxy)-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate.

Molecular Properties

Compound Namecobalt(2+);methanol;bis(4-(2-naphthalen-2-yloxyethoxy)-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate
PubChem CID139173281
Molecular FormulaC56H50B2CoF8N6O6
Molecular Weight1135.59 g/mol
Exact Mass1135.32
IUPAC Namecobalt(2+);methanol;bis(4-(2-naphthalen-2-yloxyethoxy)-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate
SMILESCO.CO.F[B-](F)(F)F.F[B-](F)(F)F.[Co+2].c1ccc(-c2cc(OCCOc3ccc4ccccc4c3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(OCCOc3ccc4ccccc4c3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/2C27H21N3O2.2CH4O.2BF4.Co/c2*1-2-8-21-17-22(12-11-20(21)7-1)31-15-16-32-23-18-26(24-9-3-5-13-28-24)30-27(19-23)25-10-4-6-14-29-25;2*1-2;2*2-1(3,4)5;/h2*1-14,17-19H,15-16H2;2*2H,1H3;;;/q;;;;2*-1;+2
InChIKeyJYBXDIQNRRQTLI-UHFFFAOYSA-N
XLogP13.45
TPSA154.72 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001135.59
LogP ≤ 513.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

Bis[4'-(4'''-benzo-15-crown-5)-methyloxy-2,2':6',2''-terpyridine]cadmium(II) bis(hexafluoridophosphate) trihydrate
CID 139077580
(Naphthalene-2,3-diolato-kappa^2^O,O')[tris(2-pyridylmethyl)amine-kappa^4^N]cobalt(III) hexafluoridophosphate hemihydrate
CID 139081429
Cobalt(2+);bis(4-hexadecoxy-2,6-dipyridin-2-ylpyridine);propan-2-one;bis(tetraphenylboranuide)
CID 139129789
Bis(4'-(4'''-benzo-15-crown-5)-methyloxy-2,2':6',2''-terpyridine)nickel(ii) bis(hexafluorophosphate) ethanol disolvate monohydrate
CID 139149263
Bis(4'-(4'''-benzo-15-crown-5)-methyloxy-2,2':6',2''-terpyridine)cobalt(ii) bis(hexafluorophosphate) trihydrate
CID 139149264
Bis(4'-(4'''-benzo-15-crown-5)-methyloxy-2,2':6',2''-terpyridine) copper(ii) bis(hexafluorophosphate)
CID 139149265
Bis(4'-(4'''-benzo-15-crown-5)-methyloxy-2,2':6',2''-terpyridine)zinc(ii) bis(hexafluorophosphate) trihydrate
CID 139149266
Bis(4'-(4'''-benzo-15-crown-5)-methyloxy-2,2':6',2''-terpyridine) cobalt(ii) bis(thiocyanate)
CID 139149267
Acetonitrile;iron(2+);bis(4-(naphthalen-2-ylmethoxy)-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate
CID 139152439
Bis(iron(2+));tetrakis(4-[2-(naphthalen-2-ylmethoxy)ethoxy]-2,6-dipyridin-2-ylpyridine);tetrahexafluorophosphate
CID 139152440
Acetonitrile;bis(4-(naphthalen-2-ylmethoxy)-2,6-dipyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
CID 139152441
Tris(acetonitrile);bis(22,22-dimethyl-14,17,27,30-tetraoxa-8,36,45-triazahexacyclo[32.2.2.27,10.218,21.223,26.12,6]pentatetraconta-1(36),2(45),3,5,7,9,18(42),19,21(41),23,25,34,37,39,43-pentadecaene);ethoxyethane;bis(palladium(2+));tetratetrafluoroborate
CID 139155313

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);methanol;bis(4-(2-naphthalen-2-yloxyethoxy)-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate?
The IUPAC name of cobalt(2+);methanol;bis(4-(2-naphthalen-2-yloxyethoxy)-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate (CID 139173281) is cobalt(2+);methanol;bis(4-(2-naphthalen-2-yloxyethoxy)-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate.
What is the SMILES notation for cobalt(2+);methanol;bis(4-(2-naphthalen-2-yloxyethoxy)-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate?
The canonical SMILES for cobalt(2+);methanol;bis(4-(2-naphthalen-2-yloxyethoxy)-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate is CO.CO.F[B-](F)(F)F.F[B-](F)(F)F.[Co+2].c1ccc(-c2cc(OCCOc3ccc4ccccc4c3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(OCCOc3ccc4ccccc4c3)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of cobalt(2+);methanol;bis(4-(2-naphthalen-2-yloxyethoxy)-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate?
The InChIKey is JYBXDIQNRRQTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H21N3O2.2CH4O.2BF4.Co/c2*1-2-8-21-17-22(12-11-20(21)7-1)31-15-16-32-23-18-26(24-9-3-5-13-28-24)30-27(19-23)25-10-4-6-14-29-25;2*1-2;2*2-1(3,4)5;/h2*1-14,17-19H,15-16H2;2*2H,1H3;;;/q;;;;2*-1;+2.
What are the key properties of cobalt(2+);methanol;bis(4-(2-naphthalen-2-yloxyethoxy)-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate?
cobalt(2+);methanol;bis(4-(2-naphthalen-2-yloxyethoxy)-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate has a molecular weight of 1135.59 g/mol, XLogP of 13.45, 14 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);methanol;bis(4-(2-naphthalen-2-yloxyethoxy)-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate is sourced from PubChem (CID 139173281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).