acetonitrile;2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine;ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate;ruthenium(2+);dihexafluorophosphate

C37H35F12N9O2P2Ru — CID 139132309

IUPACacetonitrile;2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine;ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate;ruthenium(2+);dihexafluorophosphate
SMILESCC#N.CCOC(=O)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.CN(c1ccccn1)c1cccc(N(C)c2ccccn2)n1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2]
InChIInChI=1S/C18H15N3O2.C17H17N5.C2H3N.2F6P.Ru/c1-2-23-18(22)13-11-16(14-7-3-5-9-19-14)21-17(12-13)15-8-4-6-10-20-15;1-21(14-8-3-5-12-18-14)16-10-7-11-17(20-16)22(2)15-9-4-6-13-19-15;1-2-3;2*1-7(2,3,4,5)6;/h3-12H,2H2,1H3;3-13H,1-2H3;1H3;;;/q;;;2*-1;+2
InChIKeyHKUWSVXHRKOQHB-UHFFFAOYSA-N
MW1028.74 g/mol
LogP14.08
Rot. Bonds8

About acetonitrile;2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine;ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate;ruthenium(2+);dihexafluorophosphate

acetonitrile;2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine;ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate;ruthenium(2+);dihexafluorophosphate (PubChem CID 139132309) has the molecular formula C37H35F12N9O2P2Ru and a molecular weight of 1028.74 g/mol. Its IUPAC name is acetonitrile;2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine;ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate;ruthenium(2+);dihexafluorophosphate.

Molecular Properties

Compound Nameacetonitrile;2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine;ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate;ruthenium(2+);dihexafluorophosphate
PubChem CID139132309
Molecular FormulaC37H35F12N9O2P2Ru
Molecular Weight1028.74 g/mol
Exact Mass1029.12
IUPAC Nameacetonitrile;2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine;ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate;ruthenium(2+);dihexafluorophosphate
SMILESCC#N.CCOC(=O)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.CN(c1ccccn1)c1cccc(N(C)c2ccccn2)n1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2]
InChIInChI=1S/C18H15N3O2.C17H17N5.C2H3N.2F6P.Ru/c1-2-23-18(22)13-11-16(14-7-3-5-9-19-14)21-17(12-13)15-8-4-6-10-20-15;1-21(14-8-3-5-12-18-14)16-10-7-11-17(20-16)22(2)15-9-4-6-13-19-15;1-2-3;2*1-7(2,3,4,5)6;/h3-12H,2H2,1H3;3-13H,1-2H3;1H3;;;/q;;;2*-1;+2
InChIKeyHKUWSVXHRKOQHB-UHFFFAOYSA-N
XLogP14.08
TPSA133.91 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001028.74
LogP ≤ 514.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze acetonitrile;2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine;ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate;ruthenium(2+);dihexafluorophosphate with MolForge

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Related Compounds

tris(acetonitrile);chromium(3+);2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine;ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate;trifluoromethanesulfonate;dihexafluorophosphate
CID 139189275
cis-Bis[2-(2-pyridyl)-4-methoxycarbonylquinoline](2,2'-bipyridine)ruthenium(II) hexafluorophosphate
CID 139064916
Ethyl 2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;bis(propan-2-one);bis(2-pyrazin-2-ylpyrazine);ruthenium(2+);dihexafluorophosphate
CID 139125649
2,6-Dipyridin-2-ylpyridine;ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate;propan-2-one;ruthenium(2+);dihexafluorophosphate;hydrate
CID 139126465
Ethyl 2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
CID 139138268
2-[4-(Hydroperoxymethyl)pyridin-1-ium-1-yl]pyridine-4-carboxylic acid;2-[4-(hydroperoxymethyl)-2-pyridinyl]pyridine-4-carboxylic acid;bis(pyridine);tris(2-pyridin-2-ylpyridine);ruthenium;bis(ruthenium(2+));tetracyanide
CID 59972123
Ethyl 2-[6-[[6-(4-ethoxycarbonyl-2-pyridinyl)-2-pyridinyl]-octylamino]-2-pyridinyl]pyridine-4-carboxylate
CID 140069655
bis(ethyl 2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate);1-methyl-4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridin-1-ium;ruthenium
CID 156734927
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
Ethyl 2,6-bis(1,8-naphthyridin-2-yl)pyridine-4-carboxylate
CID 164577760
Acetonitrile;bis(ethyl 2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium(2+);dihexafluorophosphate
CID 139143780
Propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxylate
CID 160796907

Frequently Asked Questions

What is the IUPAC name of acetonitrile;2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine;ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate;ruthenium(2+);dihexafluorophosphate?
The IUPAC name of acetonitrile;2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine;ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate;ruthenium(2+);dihexafluorophosphate (CID 139132309) is acetonitrile;2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine;ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate;ruthenium(2+);dihexafluorophosphate.
What is the SMILES notation for acetonitrile;2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine;ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate;ruthenium(2+);dihexafluorophosphate?
The canonical SMILES for acetonitrile;2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine;ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate;ruthenium(2+);dihexafluorophosphate is CC#N.CCOC(=O)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.CN(c1ccccn1)c1cccc(N(C)c2ccccn2)n1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].
What is the InChIKey of acetonitrile;2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine;ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate;ruthenium(2+);dihexafluorophosphate?
The InChIKey is HKUWSVXHRKOQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2.C17H17N5.C2H3N.2F6P.Ru/c1-2-23-18(22)13-11-16(14-7-3-5-9-19-14)21-17(12-13)15-8-4-6-10-20-15;1-21(14-8-3-5-12-18-14)16-10-7-11-17(20-16)22(2)15-9-4-6-13-19-15;1-2-3;2*1-7(2,3,4,5)6;/h3-12H,2H2,1H3;3-13H,1-2H3;1H3;;;/q;;;2*-1;+2.
What are the key properties of acetonitrile;2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine;ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate;ruthenium(2+);dihexafluorophosphate?
acetonitrile;2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine;ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate;ruthenium(2+);dihexafluorophosphate has a molecular weight of 1028.74 g/mol, XLogP of 14.08, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine;ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate;ruthenium(2+);dihexafluorophosphate is sourced from PubChem (CID 139132309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).