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

C38H36CoF12N8O2P2 — CID 139184776

IUPACbis(acetonitrile);cobalt(2+);bis(4-ethoxy-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate
SMILESCC#N.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.[Co+2]
InChIInChI=1S/2C17H15N3O.2C2H3N.Co.2F6P/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;2*1-2-3;;2*1-7(2,3,4,5)6/h2*3-12H,2H2,1H3;2*1H3;;;/q;;;;+2;2*-1
InChIKeyDYJSEDWZZPENPU-UHFFFAOYSA-N
MW985.62 g/mol
LogP15.03
Rot. Bonds8

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

bis(acetonitrile);cobalt(2+);bis(4-ethoxy-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate (PubChem CID 139184776) has the molecular formula C38H36CoF12N8O2P2 and a molecular weight of 985.62 g/mol. Its IUPAC name is bis(acetonitrile);cobalt(2+);bis(4-ethoxy-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate.

Molecular Properties

Compound Namebis(acetonitrile);cobalt(2+);bis(4-ethoxy-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate
PubChem CID139184776
Molecular FormulaC38H36CoF12N8O2P2
Molecular Weight985.62 g/mol
Exact Mass985.16
IUPAC Namebis(acetonitrile);cobalt(2+);bis(4-ethoxy-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate
SMILESCC#N.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.[Co+2]
InChIInChI=1S/2C17H15N3O.2C2H3N.Co.2F6P/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;2*1-2-3;;2*1-7(2,3,4,5)6/h2*3-12H,2H2,1H3;2*1H3;;;/q;;;;+2;2*-1
InChIKeyDYJSEDWZZPENPU-UHFFFAOYSA-N
XLogP15.03
TPSA143.38 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500985.62
LogP ≤ 515.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

CID 58621543
CID 58621543
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)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
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
bis[5,5"-bis-(4-methoxy-2,6-dimethylphenyl)-[2,2':6,2"]terpyridine]iron(II) hexafluorophosphate hexa-acetonitrile solvate
CID 139160959
bis[5,5"-bis-(4-methoxy-2,6-dimethylphenyl)-[2,2':6,2"]terpyridine]cobalt(II) hexafluorophosphate hexa-acetonitrile solvate
CID 139160960
bis[5,5"-bis-(4-methoxy-2,6-dimethylphenyl)-[2,2':6,2"]terpyridine]ruthenium(II) hexafluorophosphate hexa-acetonitrile solvate
CID 139160961

Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);cobalt(2+);bis(4-ethoxy-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate?
The IUPAC name of bis(acetonitrile);cobalt(2+);bis(4-ethoxy-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate (CID 139184776) is bis(acetonitrile);cobalt(2+);bis(4-ethoxy-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate.
What is the SMILES notation for bis(acetonitrile);cobalt(2+);bis(4-ethoxy-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate?
The canonical SMILES for bis(acetonitrile);cobalt(2+);bis(4-ethoxy-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate is CC#N.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.[Co+2].
What is the InChIKey of bis(acetonitrile);cobalt(2+);bis(4-ethoxy-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate?
The InChIKey is DYJSEDWZZPENPU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H15N3O.2C2H3N.Co.2F6P/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;2*1-2-3;;2*1-7(2,3,4,5)6/h2*3-12H,2H2,1H3;2*1H3;;;/q;;;;+2;2*-1.
What are the key properties of bis(acetonitrile);cobalt(2+);bis(4-ethoxy-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate?
bis(acetonitrile);cobalt(2+);bis(4-ethoxy-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate has a molecular weight of 985.62 g/mol, XLogP of 15.03, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);cobalt(2+);bis(4-ethoxy-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate is sourced from PubChem (CID 139184776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).