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

C57H55F18N12O2P3Ru2 — CID 139136940

IUPACacetonitrile;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
SMILESCC#N.CC(C)=O.CCOCC.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].[Ru+2].c1ccc(-c2cc(-c3ccccn3)[n-]n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccncc1
InChIInChI=1S/2C15H11N3.C13H9N4.C5H5N.C4H10O.C3H6O.C2H3N.3F6P.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;1-2-4-6-5-3-1;1-3-5-4-2;1-3(2)4;1-2-3;3*1-7(2,3,4,5)6;;/h2*1-11H;1-9H;1-5H;3-4H2,1-2H3;1-2H3;1H3;;;;;/q;;-1;;;;;3*-1;2*+2
InChIKeyPYMUDTIUVWUMLL-UHFFFAOYSA-N
MW1577.17 g/mol
LogP21.97
Rot. Bonds8

About 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

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 (PubChem CID 139136940) has the molecular formula C57H55F18N12O2P3Ru2 and a molecular weight of 1577.17 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameacetonitrile;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
PubChem CID139136940
Molecular FormulaC57H55F18N12O2P3Ru2
Molecular Weight1577.17 g/mol
Exact Mass1578.16
IUPAC Nameacetonitrile;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
SMILESCC#N.CC(C)=O.CCOCC.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].[Ru+2].c1ccc(-c2cc(-c3ccccn3)[n-]n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccncc1
InChIInChI=1S/2C15H11N3.C13H9N4.C5H5N.C4H10O.C3H6O.C2H3N.3F6P.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;1-2-4-6-5-3-1;1-3-5-4-2;1-3(2)4;1-2-3;3*1-7(2,3,4,5)6;;/h2*1-11H;1-9H;1-5H;3-4H2,1-2H3;1-2H3;1H3;;;;;/q;;-1;;;;;3*-1;2*+2
InChIKeyPYMUDTIUVWUMLL-UHFFFAOYSA-N
XLogP21.97
TPSA193.09 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001577.17
LogP ≤ 521.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate;dihydrate
CID 11251912
bis(acetonitrile);pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
CID 139133343
tris(acetonitrile);ethyl 2-phenyl-6-pyridin-2-ylpyridine-4-carboxylate;osmium;hexafluorophosphate
CID 71714755
bis(acetonitrile);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
CID 11320289
acetonitrile;ethoxyethane;manganese(2+);2-pyridin-2-yl-6-[2-[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]pyridine;bis(trifluoromethanesulfonate)
CID 139178913
cyanoboranuide;tetrakis(iron(2+));tetrakis(4-phenylpyridine);tetrakis(2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine)
CID 139180304
bis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(2-phenyl-4,6-dipyridin-2-yl-1,3,5-triazine);bis(ruthenium(2+));tetrahexafluorophosphate
CID 139184896
tricopper;bis(acetonitrile);bis(2,6-bis[1-[[4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);diacetate;tetrahexafluorophosphate
CID 139175003
copper;2,6-dipyridin-2-ylpyridine;diacetate;hydrate
CID 139207056
2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(3+);chloride;dihexafluorophosphate
CID 138455536
octakis(acetonitrile);2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine;bis(ruthenium(2+));tetratetrafluoroborate;tetrahydrate
CID 139136377
bis(2,6-bis(5-methylpyrazol-1-id-3-yl)pyridine);2,6-bis(5-methylpyrazol-2-id-3-yl)pyridine;octakis(copper(1+));2-(5-methylpyrazol-1-id-3-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;propan-2-one
CID 139152141

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC#N.CC(C)=O.CCOCC.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].[Ru+2].c1ccc(-c2cc(-c3ccccn3)[n-]n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccncc1.
What is the InChIKey of 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?
The InChIKey is PYMUDTIUVWUMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H11N3.C13H9N4.C5H5N.C4H10O.C3H6O.C2H3N.3F6P.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;1-2-4-6-5-3-1;1-3-5-4-2;1-3(2)4;1-2-3;3*1-7(2,3,4,5)6;;/h2*1-11H;1-9H;1-5H;3-4H2,1-2H3;1-2H3;1H3;;;;;/q;;-1;;;;;3*-1;2*+2.
What are the key properties of 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?
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 has a molecular weight of 1577.17 g/mol, XLogP of 21.97, 8 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139136940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).