bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate;dihydrate

C43H35F18N10O2P3Ru2 — CID 11251912

IUPACbis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate;dihydrate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O.O.[Ru+2].[Ru+2].c1ccc(-c2cc(-c3ccccn3)[n-]n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/2C15H11N3.C13H9N4.3F6P.2H2O.2Ru/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-7-14-10(5-1)12-9-13(17-16-12)11-6-2-4-8-15-11;3*1-7(2,3,4,5)6;;;;/h2*1-11H;1-9H;;;;2*1H2;;/q;;4*-1;;;2*+2
InChIKeyNQWOSXWMRXXOBG-UHFFFAOYSA-N
MW1360.85 g/mol
LogP17.07
Rot. Bonds6

About bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate;dihydrate

bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate;dihydrate (PubChem CID 11251912) has the molecular formula C43H35F18N10O2P3Ru2 and a molecular weight of 1360.85 g/mol. Its IUPAC name is bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate;dihydrate.

Molecular Properties

Compound Namebis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate;dihydrate
PubChem CID11251912
Molecular FormulaC43H35F18N10O2P3Ru2
Molecular Weight1360.85 g/mol
Exact Mass1362.00
IUPAC Namebis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate;dihydrate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O.O.[Ru+2].[Ru+2].c1ccc(-c2cc(-c3ccccn3)[n-]n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/2C15H11N3.C13H9N4.3F6P.2H2O.2Ru/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-7-14-10(5-1)12-9-13(17-16-12)11-6-2-4-8-15-11;3*1-7(2,3,4,5)6;;;;/h2*1-11H;1-9H;;;;2*1H2;;/q;;4*-1;;;2*+2
InChIKeyNQWOSXWMRXXOBG-UHFFFAOYSA-N
XLogP17.07
TPSA193.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001360.85
LogP ≤ 517.07
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

acetonitrile;bis(2,6-dipyridin-2-ylpyridine);ethoxyethane;propan-2-one;pyridine;2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate
CID 139136940
2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(3+);chloride;dihexafluorophosphate
CID 138455536
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
cyanoboranuide;tetrakis(iron(2+));tetrakis(4-phenylpyridine);tetrakis(2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine)
CID 139180304
4-[6-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2,6-dipyridin-2-ylpyridine
CID 171935887
3,5-diphenylpyrazol-1-ide;bis(2,6-dipyridin-2-ylpyridine);palladium;palladium(2+);tetranitrate
CID 139072070
2-(5-methylpyrazol-2-id-3-yl)pyridine
CID 22090468
bis(acetonitrile);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
CID 11320289
iridium;2-(5-methylpyrazol-2-id-3-yl)pyridine
CID 20807299
iridium(3+);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine)
CID 159822553
2-(5-methylpyrazol-2-id-3-yl)pyridine;platinum;bis(yttrium)
CID 148900201
2,4,6-tripyridin-2-ylpyrimidine
CID 70005539

Frequently Asked Questions

What is the IUPAC name of bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate;dihydrate?
The IUPAC name of bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate;dihydrate (CID 11251912) is bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate;dihydrate.
What is the SMILES notation for bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate;dihydrate?
The canonical SMILES for bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate;dihydrate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O.O.[Ru+2].[Ru+2].c1ccc(-c2cc(-c3ccccn3)[n-]n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.
What is the InChIKey of bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate;dihydrate?
The InChIKey is NQWOSXWMRXXOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H11N3.C13H9N4.3F6P.2H2O.2Ru/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-7-14-10(5-1)12-9-13(17-16-12)11-6-2-4-8-15-11;3*1-7(2,3,4,5)6;;;;/h2*1-11H;1-9H;;;;2*1H2;;/q;;4*-1;;;2*+2.
What are the key properties of bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate;dihydrate?
bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate;dihydrate has a molecular weight of 1360.85 g/mol, XLogP of 17.07, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate;dihydrate is sourced from PubChem (CID 11251912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).