disilver;bis([6-(pyridine-4-carbonyl)-2-pyridinyl]-pyridin-4-ylmethanone);dihexafluorophosphate

C34H22Ag2F12N6O4P2 — CID 139144391

IUPACdisilver;bis([6-(pyridine-4-carbonyl)-2-pyridinyl]-pyridin-4-ylmethanone);dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O=C(c1ccncc1)c1cccc(C(=O)c2ccncc2)n1.O=C(c1ccncc1)c1cccc(C(=O)c2ccncc2)n1.[Ag+].[Ag+]
InChIInChI=1S/2C17H11N3O2.2Ag.2F6P/c2*21-16(12-4-8-18-9-5-12)14-2-1-3-15(20-14)17(22)13-6-10-19-11-7-13;;;2*1-7(2,3,4,5)6/h2*1-11H;;;;/q;;2*+1;2*-1
InChIKeyUBMCEPHDKOWMSS-UHFFFAOYSA-N
MW1084.25 g/mol
LogP11.43
Rot. Bonds8

About disilver;bis([6-(pyridine-4-carbonyl)-2-pyridinyl]-pyridin-4-ylmethanone);dihexafluorophosphate

disilver;bis([6-(pyridine-4-carbonyl)-2-pyridinyl]-pyridin-4-ylmethanone);dihexafluorophosphate (PubChem CID 139144391) has the molecular formula C34H22Ag2F12N6O4P2 and a molecular weight of 1084.25 g/mol. Its IUPAC name is disilver;bis([6-(pyridine-4-carbonyl)-2-pyridinyl]-pyridin-4-ylmethanone);dihexafluorophosphate.

Molecular Properties

Compound Namedisilver;bis([6-(pyridine-4-carbonyl)-2-pyridinyl]-pyridin-4-ylmethanone);dihexafluorophosphate
PubChem CID139144391
Molecular FormulaC34H22Ag2F12N6O4P2
Molecular Weight1084.25 g/mol
Exact Mass1081.91
IUPAC Namedisilver;bis([6-(pyridine-4-carbonyl)-2-pyridinyl]-pyridin-4-ylmethanone);dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O=C(c1ccncc1)c1cccc(C(=O)c2ccncc2)n1.O=C(c1ccncc1)c1cccc(C(=O)c2ccncc2)n1.[Ag+].[Ag+]
InChIInChI=1S/2C17H11N3O2.2Ag.2F6P/c2*21-16(12-4-8-18-9-5-12)14-2-1-3-15(20-14)17(22)13-6-10-19-11-7-13;;;2*1-7(2,3,4,5)6/h2*1-11H;;;;/q;;2*+1;2*-1
InChIKeyUBMCEPHDKOWMSS-UHFFFAOYSA-N
XLogP11.43
TPSA145.62 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms60
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001084.25
LogP ≤ 511.43
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

Frequently Asked Questions

What is the IUPAC name of disilver;bis([6-(pyridine-4-carbonyl)-2-pyridinyl]-pyridin-4-ylmethanone);dihexafluorophosphate?
The IUPAC name of disilver;bis([6-(pyridine-4-carbonyl)-2-pyridinyl]-pyridin-4-ylmethanone);dihexafluorophosphate (CID 139144391) is disilver;bis([6-(pyridine-4-carbonyl)-2-pyridinyl]-pyridin-4-ylmethanone);dihexafluorophosphate.
What is the SMILES notation for disilver;bis([6-(pyridine-4-carbonyl)-2-pyridinyl]-pyridin-4-ylmethanone);dihexafluorophosphate?
The canonical SMILES for disilver;bis([6-(pyridine-4-carbonyl)-2-pyridinyl]-pyridin-4-ylmethanone);dihexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O=C(c1ccncc1)c1cccc(C(=O)c2ccncc2)n1.O=C(c1ccncc1)c1cccc(C(=O)c2ccncc2)n1.[Ag+].[Ag+].
What is the InChIKey of disilver;bis([6-(pyridine-4-carbonyl)-2-pyridinyl]-pyridin-4-ylmethanone);dihexafluorophosphate?
The InChIKey is UBMCEPHDKOWMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H11N3O2.2Ag.2F6P/c2*21-16(12-4-8-18-9-5-12)14-2-1-3-15(20-14)17(22)13-6-10-19-11-7-13;;;2*1-7(2,3,4,5)6/h2*1-11H;;;;/q;;2*+1;2*-1.
What are the key properties of disilver;bis([6-(pyridine-4-carbonyl)-2-pyridinyl]-pyridin-4-ylmethanone);dihexafluorophosphate?
disilver;bis([6-(pyridine-4-carbonyl)-2-pyridinyl]-pyridin-4-ylmethanone);dihexafluorophosphate has a molecular weight of 1084.25 g/mol, XLogP of 11.43, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;bis([6-(pyridine-4-carbonyl)-2-pyridinyl]-pyridin-4-ylmethanone);dihexafluorophosphate is sourced from PubChem (CID 139144391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).