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

C54H42B2CoF8N6O4 — CID 139173283

IUPACcobalt(2+);bis(4-(2-naphthalen-2-yloxyethoxy)-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate
SMILESF[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/2C27H21N3O2.2BF4.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*2-1(3,4)5;/h2*1-14,17-19H,15-16H2;;;/q;;2*-1;+2
InChIKeyHIDYSRDWLBJXAN-UHFFFAOYSA-N
MW1071.51 g/mol
LogP14.23
Rot. Bonds14

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

cobalt(2+);bis(4-(2-naphthalen-2-yloxyethoxy)-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate (PubChem CID 139173283) has the molecular formula C54H42B2CoF8N6O4 and a molecular weight of 1071.51 g/mol. Its IUPAC name is cobalt(2+);bis(4-(2-naphthalen-2-yloxyethoxy)-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate.

Molecular Properties

Compound Namecobalt(2+);bis(4-(2-naphthalen-2-yloxyethoxy)-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate
PubChem CID139173283
Molecular FormulaC54H42B2CoF8N6O4
Molecular Weight1071.51 g/mol
Exact Mass1071.27
IUPAC Namecobalt(2+);bis(4-(2-naphthalen-2-yloxyethoxy)-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate
SMILESF[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/2C27H21N3O2.2BF4.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*2-1(3,4)5;/h2*1-14,17-19H,15-16H2;;;/q;;2*-1;+2
InChIKeyHIDYSRDWLBJXAN-UHFFFAOYSA-N
XLogP14.23
TPSA114.26 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001071.51
LogP ≤ 514.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

4-[2-[2-[7-[2-[2-[(2,6-Dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]ethoxy]naphthalen-2-yl]oxyethoxy]ethoxy]-2,6-dipyridin-2-ylpyridine
CID 101272846
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(3+);35,35-dimethyl-24,27,30,40,43,46-hexaoxa-9,12-diazanonacyclo[45.2.2.220,23.231,34.236,39.16,10.111,15.02,7.014,19]nonapentaconta-1(49),2,4,6(59),7,9,11,13,15(58),16,18,20(57),21,23(56),31,33,36,38,47,50,52,54-docosaene;bis(8-(4-methoxyphenyl)-3-[8-(4-methoxyphenyl)isoquinolin-3-yl]isoquinoline);bis(propan-2-one);trihexafluorophosphate
CID 139115384
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
((4'-(4'''-Benzo-15-crown-5-sodium thiocyanate)-methyloxy-2,2':6',2''-terpyridine) (4'-(4'''-benzo-15-crown-5-sodium dithiocyanate)-methyloxy-2,2':6',2''-terpyridine)) copper(ii) thiocyanate acetonitrile
CID 139149269
Acetonitrile;iron(2+);bis(4-(naphthalen-2-ylmethoxy)-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate
CID 139152439

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(4-(2-naphthalen-2-yloxyethoxy)-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate?
The IUPAC name of cobalt(2+);bis(4-(2-naphthalen-2-yloxyethoxy)-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate (CID 139173283) is cobalt(2+);bis(4-(2-naphthalen-2-yloxyethoxy)-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate.
What is the SMILES notation for cobalt(2+);bis(4-(2-naphthalen-2-yloxyethoxy)-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate?
The canonical SMILES for cobalt(2+);bis(4-(2-naphthalen-2-yloxyethoxy)-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate is 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+);bis(4-(2-naphthalen-2-yloxyethoxy)-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate?
The InChIKey is HIDYSRDWLBJXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H21N3O2.2BF4.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*2-1(3,4)5;/h2*1-14,17-19H,15-16H2;;;/q;;2*-1;+2.
What are the key properties of cobalt(2+);bis(4-(2-naphthalen-2-yloxyethoxy)-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate?
cobalt(2+);bis(4-(2-naphthalen-2-yloxyethoxy)-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate has a molecular weight of 1071.51 g/mol, XLogP of 14.23, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(4-(2-naphthalen-2-yloxyethoxy)-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate is sourced from PubChem (CID 139173283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).