acetonitrile;cobalt(3+);bis(4-ethoxy-2,6-dipyridin-2-ylpyridine);trihexafluorophosphate

C36H33CoF18N7O2P3 — CID 139197651

IUPACacetonitrile;cobalt(3+);bis(4-ethoxy-2,6-dipyridin-2-ylpyridine);trihexafluorophosphate
SMILESCC#N.CCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1.CCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Co+3]
InChIInChI=1S/2C17H15N3O.C2H3N.Co.3F6P/c2*1-2-21-13-11-16(14-7-3-5-9-18-14)20-17(12-13)15-8-4-6-10-19-15;1-2-3;;3*1-7(2,3,4,5)6/h2*3-12H,2H2,1H3;1H3;;;;/q;;;+3;3*-1
InChIKeyHIPAILPYAZJRBS-UHFFFAOYSA-N
MW1089.53 g/mol
LogP17.88
Rot. Bonds8

About acetonitrile;cobalt(3+);bis(4-ethoxy-2,6-dipyridin-2-ylpyridine);trihexafluorophosphate

acetonitrile;cobalt(3+);bis(4-ethoxy-2,6-dipyridin-2-ylpyridine);trihexafluorophosphate (PubChem CID 139197651) has the molecular formula C36H33CoF18N7O2P3 and a molecular weight of 1089.53 g/mol. Its IUPAC name is acetonitrile;cobalt(3+);bis(4-ethoxy-2,6-dipyridin-2-ylpyridine);trihexafluorophosphate.

Molecular Properties

Compound Nameacetonitrile;cobalt(3+);bis(4-ethoxy-2,6-dipyridin-2-ylpyridine);trihexafluorophosphate
PubChem CID139197651
Molecular FormulaC36H33CoF18N7O2P3
Molecular Weight1089.53 g/mol
Exact Mass1089.10
IUPAC Nameacetonitrile;cobalt(3+);bis(4-ethoxy-2,6-dipyridin-2-ylpyridine);trihexafluorophosphate
SMILESCC#N.CCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1.CCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Co+3]
InChIInChI=1S/2C17H15N3O.C2H3N.Co.3F6P/c2*1-2-21-13-11-16(14-7-3-5-9-18-14)20-17(12-13)15-8-4-6-10-19-15;1-2-3;;3*1-7(2,3,4,5)6/h2*3-12H,2H2,1H3;1H3;;;;/q;;;+3;3*-1
InChIKeyHIPAILPYAZJRBS-UHFFFAOYSA-N
XLogP17.88
TPSA119.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001089.53
LogP ≤ 517.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

CID 58621543
CID 58621543
Bis[4'-(4'''-benzo-15-crown-5)-methyloxy-2,2':6',2''-terpyridine]cadmium(II) bis(hexafluoridophosphate) trihydrate
CID 139077580
Cobalt(2+);bis(4-hexadecoxy-2,6-dipyridin-2-ylpyridine);propan-2-one;bis(tetraphenylboranuide)
CID 139129789
[Fe(L1)2](PF6)2
CID 139137591
bis(N,N-bis(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine);osmium(2+);dihexafluorophosphate
CID 139143424
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
Acetonitrile;iron(2+);bis(4-(naphthalen-2-ylmethoxy)-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate
CID 139152439
Acetonitrile;bis(4-(naphthalen-2-ylmethoxy)-2,6-dipyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
CID 139152441
Tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);propan-2-one;ruthenium(2+);dihexafluorophosphate
CID 139158992

Frequently Asked Questions

What is the IUPAC name of acetonitrile;cobalt(3+);bis(4-ethoxy-2,6-dipyridin-2-ylpyridine);trihexafluorophosphate?
The IUPAC name of acetonitrile;cobalt(3+);bis(4-ethoxy-2,6-dipyridin-2-ylpyridine);trihexafluorophosphate (CID 139197651) is acetonitrile;cobalt(3+);bis(4-ethoxy-2,6-dipyridin-2-ylpyridine);trihexafluorophosphate.
What is the SMILES notation for acetonitrile;cobalt(3+);bis(4-ethoxy-2,6-dipyridin-2-ylpyridine);trihexafluorophosphate?
The canonical SMILES for acetonitrile;cobalt(3+);bis(4-ethoxy-2,6-dipyridin-2-ylpyridine);trihexafluorophosphate is CC#N.CCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1.CCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Co+3].
What is the InChIKey of acetonitrile;cobalt(3+);bis(4-ethoxy-2,6-dipyridin-2-ylpyridine);trihexafluorophosphate?
The InChIKey is HIPAILPYAZJRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H15N3O.C2H3N.Co.3F6P/c2*1-2-21-13-11-16(14-7-3-5-9-18-14)20-17(12-13)15-8-4-6-10-19-15;1-2-3;;3*1-7(2,3,4,5)6/h2*3-12H,2H2,1H3;1H3;;;;/q;;;+3;3*-1.
What are the key properties of acetonitrile;cobalt(3+);bis(4-ethoxy-2,6-dipyridin-2-ylpyridine);trihexafluorophosphate?
acetonitrile;cobalt(3+);bis(4-ethoxy-2,6-dipyridin-2-ylpyridine);trihexafluorophosphate has a molecular weight of 1089.53 g/mol, XLogP of 17.88, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;cobalt(3+);bis(4-ethoxy-2,6-dipyridin-2-ylpyridine);trihexafluorophosphate is sourced from PubChem (CID 139197651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).