acetonitrile;2,6-dipyridin-2-ylpyridine;bis(ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate);tris(methyl 3,5-dipyridin-2-ylbenzene-4-ide-1-carboxylate);3-methyl-2-pyridin-2-ylpyridine;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;tetrakis(ruthenium(1+));tetrahexafluorophosphate

C134H104F24N20O10P4Ru4-4 — CID 159453480

IUPACacetonitrile;2,6-dipyridin-2-ylpyridine;bis(ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate);tris(methyl 3,5-dipyridin-2-ylbenzene-4-ide-1-carboxylate);3-methyl-2-pyridin-2-ylpyridine;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;tetrakis(ruthenium(1+));tetrahexafluorophosphate
SMILESCC#N.CCOC(=O)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.CCOC(=O)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.COC(=O)c1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.COC(=O)c1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.COC(=O)c1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.Cc1cccnc1-c1ccccn1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+].[Ru+].[Ru+].[Ru+].[c-]1c(-c2ccccn2)cccc1-c1ccccn1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/2C18H15N3O2.3C18H13N2O2.C16H11N2.C15H11N3.C11H10N2.C2H3N.4F6P.4Ru/c2*1-2-23-18(22)13-11-16(14-7-3-5-9-19-14)21-17(12-13)15-8-4-6-10-20-15;3*1-22-18(21)15-11-13(16-6-2-4-8-19-16)10-14(12-15)17-7-3-5-9-20-17;1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-9-5-4-8-13-11(9)10-6-2-3-7-12-10;1-2-3;4*1-7(2,3,4,5)6;;;;/h2*3-12H,2H2,1H3;3*2-9,11-12H,1H3;2*1-11H;2-8H,1H3;1H3;;;;;;;;/q;;4*-1;;;;4*-1;4*+1
InChIKeyURHBSNSGXSGKKE-UHFFFAOYSA-N
MW3138.56 g/mol
LogP40.27
Rot. Bonds22

About acetonitrile;2,6-dipyridin-2-ylpyridine;bis(ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate);tris(methyl 3,5-dipyridin-2-ylbenzene-4-ide-1-carboxylate);3-methyl-2-pyridin-2-ylpyridine;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;tetrakis(ruthenium(1+));tetrahexafluorophosphate

acetonitrile;2,6-dipyridin-2-ylpyridine;bis(ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate);tris(methyl 3,5-dipyridin-2-ylbenzene-4-ide-1-carboxylate);3-methyl-2-pyridin-2-ylpyridine;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;tetrakis(ruthenium(1+));tetrahexafluorophosphate (PubChem CID 159453480) has the molecular formula C134H104F24N20O10P4Ru4-4 and a molecular weight of 3138.56 g/mol. Its IUPAC name is acetonitrile;2,6-dipyridin-2-ylpyridine;bis(ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate);tris(methyl 3,5-dipyridin-2-ylbenzene-4-ide-1-carboxylate);3-methyl-2-pyridin-2-ylpyridine;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;tetrakis(ruthenium(1+));tetrahexafluorophosphate.

Molecular Properties

Compound Nameacetonitrile;2,6-dipyridin-2-ylpyridine;bis(ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate);tris(methyl 3,5-dipyridin-2-ylbenzene-4-ide-1-carboxylate);3-methyl-2-pyridin-2-ylpyridine;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;tetrakis(ruthenium(1+));tetrahexafluorophosphate
PubChem CID159453480
Molecular FormulaC134H104F24N20O10P4Ru4-4
Molecular Weight3138.56 g/mol
Exact Mass3140.30
IUPAC Nameacetonitrile;2,6-dipyridin-2-ylpyridine;bis(ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate);tris(methyl 3,5-dipyridin-2-ylbenzene-4-ide-1-carboxylate);3-methyl-2-pyridin-2-ylpyridine;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;tetrakis(ruthenium(1+));tetrahexafluorophosphate
SMILESCC#N.CCOC(=O)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.CCOC(=O)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.COC(=O)c1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.COC(=O)c1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.COC(=O)c1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.Cc1cccnc1-c1ccccn1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+].[Ru+].[Ru+].[Ru+].[c-]1c(-c2ccccn2)cccc1-c1ccccn1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/2C18H15N3O2.3C18H13N2O2.C16H11N2.C15H11N3.C11H10N2.C2H3N.4F6P.4Ru/c2*1-2-23-18(22)13-11-16(14-7-3-5-9-19-14)21-17(12-13)15-8-4-6-10-20-15;3*1-22-18(21)15-11-13(16-6-2-4-8-19-16)10-14(12-15)17-7-3-5-9-20-17;1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-9-5-4-8-13-11(9)10-6-2-3-7-12-10;1-2-3;4*1-7(2,3,4,5)6;;;;/h2*3-12H,2H2,1H3;3*2-9,11-12H,1H3;2*1-11H;2-8H,1H3;1H3;;;;;;;;/q;;4*-1;;;;4*-1;4*+1
InChIKeyURHBSNSGXSGKKE-UHFFFAOYSA-N
XLogP40.27
TPSA400.20 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds22
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003138.56
LogP ≤ 540.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze acetonitrile;2,6-dipyridin-2-ylpyridine;bis(ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate);tris(methyl 3,5-dipyridin-2-ylbenzene-4-ide-1-carboxylate);3-methyl-2-pyridin-2-ylpyridine;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;tetrakis(ruthenium(1+));tetrahexafluorophosphate with MolForge

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Frequently Asked Questions

What is the IUPAC name of acetonitrile;2,6-dipyridin-2-ylpyridine;bis(ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate);tris(methyl 3,5-dipyridin-2-ylbenzene-4-ide-1-carboxylate);3-methyl-2-pyridin-2-ylpyridine;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;tetrakis(ruthenium(1+));tetrahexafluorophosphate?
The IUPAC name of acetonitrile;2,6-dipyridin-2-ylpyridine;bis(ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate);tris(methyl 3,5-dipyridin-2-ylbenzene-4-ide-1-carboxylate);3-methyl-2-pyridin-2-ylpyridine;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;tetrakis(ruthenium(1+));tetrahexafluorophosphate (CID 159453480) is acetonitrile;2,6-dipyridin-2-ylpyridine;bis(ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate);tris(methyl 3,5-dipyridin-2-ylbenzene-4-ide-1-carboxylate);3-methyl-2-pyridin-2-ylpyridine;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;tetrakis(ruthenium(1+));tetrahexafluorophosphate.
What is the SMILES notation for acetonitrile;2,6-dipyridin-2-ylpyridine;bis(ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate);tris(methyl 3,5-dipyridin-2-ylbenzene-4-ide-1-carboxylate);3-methyl-2-pyridin-2-ylpyridine;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;tetrakis(ruthenium(1+));tetrahexafluorophosphate?
The canonical SMILES for acetonitrile;2,6-dipyridin-2-ylpyridine;bis(ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate);tris(methyl 3,5-dipyridin-2-ylbenzene-4-ide-1-carboxylate);3-methyl-2-pyridin-2-ylpyridine;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;tetrakis(ruthenium(1+));tetrahexafluorophosphate is CC#N.CCOC(=O)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.CCOC(=O)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.COC(=O)c1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.COC(=O)c1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.COC(=O)c1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.Cc1cccnc1-c1ccccn1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+].[Ru+].[Ru+].[Ru+].[c-]1c(-c2ccccn2)cccc1-c1ccccn1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.
What is the InChIKey of acetonitrile;2,6-dipyridin-2-ylpyridine;bis(ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate);tris(methyl 3,5-dipyridin-2-ylbenzene-4-ide-1-carboxylate);3-methyl-2-pyridin-2-ylpyridine;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;tetrakis(ruthenium(1+));tetrahexafluorophosphate?
The InChIKey is URHBSNSGXSGKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15N3O2.3C18H13N2O2.C16H11N2.C15H11N3.C11H10N2.C2H3N.4F6P.4Ru/c2*1-2-23-18(22)13-11-16(14-7-3-5-9-19-14)21-17(12-13)15-8-4-6-10-20-15;3*1-22-18(21)15-11-13(16-6-2-4-8-19-16)10-14(12-15)17-7-3-5-9-20-17;1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-9-5-4-8-13-11(9)10-6-2-3-7-12-10;1-2-3;4*1-7(2,3,4,5)6;;;;/h2*3-12H,2H2,1H3;3*2-9,11-12H,1H3;2*1-11H;2-8H,1H3;1H3;;;;;;;;/q;;4*-1;;;;4*-1;4*+1.
What are the key properties of acetonitrile;2,6-dipyridin-2-ylpyridine;bis(ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate);tris(methyl 3,5-dipyridin-2-ylbenzene-4-ide-1-carboxylate);3-methyl-2-pyridin-2-ylpyridine;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;tetrakis(ruthenium(1+));tetrahexafluorophosphate?
acetonitrile;2,6-dipyridin-2-ylpyridine;bis(ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate);tris(methyl 3,5-dipyridin-2-ylbenzene-4-ide-1-carboxylate);3-methyl-2-pyridin-2-ylpyridine;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;tetrakis(ruthenium(1+));tetrahexafluorophosphate has a molecular weight of 3138.56 g/mol, XLogP of 40.27, 22 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;2,6-dipyridin-2-ylpyridine;bis(ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate);tris(methyl 3,5-dipyridin-2-ylbenzene-4-ide-1-carboxylate);3-methyl-2-pyridin-2-ylpyridine;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;tetrakis(ruthenium(1+));tetrahexafluorophosphate is sourced from PubChem (CID 159453480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).