tris(N,N-dimethylpyridin-4-amine);1-[di(pyrazol-1-yl)methyl]pyrazole;ethoxyethane;ruthenium(2+);dihexafluorophosphate

C35H50F12N12OP2Ru — CID 139086076

IUPACtris(N,N-dimethylpyridin-4-amine);1-[di(pyrazol-1-yl)methyl]pyrazole;ethoxyethane;ruthenium(2+);dihexafluorophosphate
SMILESCCOCC.CN(C)c1ccncc1.CN(C)c1ccncc1.CN(C)c1ccncc1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1cnn(C(n2cccn2)n2cccn2)c1
InChIInChI=1S/C10H10N6.3C7H10N2.C4H10O.2F6P.Ru/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;3*1-9(2)7-3-5-8-6-4-7;1-3-5-4-2;2*1-7(2,3,4,5)6;/h1-10H;3*3-6H,1-2H3;3-4H2,1-2H3;;;/q;;;;;2*-1;+2
InChIKeyNHOXCAYGVXOIIR-UHFFFAOYSA-N
MW1045.86 g/mol
LogP12.08
Rot. Bonds8

About tris(N,N-dimethylpyridin-4-amine);1-[di(pyrazol-1-yl)methyl]pyrazole;ethoxyethane;ruthenium(2+);dihexafluorophosphate

tris(N,N-dimethylpyridin-4-amine);1-[di(pyrazol-1-yl)methyl]pyrazole;ethoxyethane;ruthenium(2+);dihexafluorophosphate (PubChem CID 139086076) has the molecular formula C35H50F12N12OP2Ru and a molecular weight of 1045.86 g/mol. Its IUPAC name is tris(N,N-dimethylpyridin-4-amine);1-[di(pyrazol-1-yl)methyl]pyrazole;ethoxyethane;ruthenium(2+);dihexafluorophosphate.

Molecular Properties

Compound Nametris(N,N-dimethylpyridin-4-amine);1-[di(pyrazol-1-yl)methyl]pyrazole;ethoxyethane;ruthenium(2+);dihexafluorophosphate
PubChem CID139086076
Molecular FormulaC35H50F12N12OP2Ru
Molecular Weight1045.86 g/mol
Exact Mass1046.26
IUPAC Nametris(N,N-dimethylpyridin-4-amine);1-[di(pyrazol-1-yl)methyl]pyrazole;ethoxyethane;ruthenium(2+);dihexafluorophosphate
SMILESCCOCC.CN(C)c1ccncc1.CN(C)c1ccncc1.CN(C)c1ccncc1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1cnn(C(n2cccn2)n2cccn2)c1
InChIInChI=1S/C10H10N6.3C7H10N2.C4H10O.2F6P.Ru/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;3*1-9(2)7-3-5-8-6-4-7;1-3-5-4-2;2*1-7(2,3,4,5)6;/h1-10H;3*3-6H,1-2H3;3-4H2,1-2H3;;;/q;;;;;2*-1;+2
InChIKeyNHOXCAYGVXOIIR-UHFFFAOYSA-N
XLogP12.08
TPSA111.08 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001045.86
LogP ≤ 512.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

1-[Di(pyrazol-1-yl)methyl]pyrazole;2-pyridin-2-ylpyridine;ruthenium(2+);hexafluorophosphate;isothiocyanate
CID 139158171
Disilver;bis(difluorophosphinate);bis(4-[di(pyrazol-1-yl)methyl]pyridine);oxolane
CID 139145963

Frequently Asked Questions

What is the IUPAC name of tris(N,N-dimethylpyridin-4-amine);1-[di(pyrazol-1-yl)methyl]pyrazole;ethoxyethane;ruthenium(2+);dihexafluorophosphate?
The IUPAC name of tris(N,N-dimethylpyridin-4-amine);1-[di(pyrazol-1-yl)methyl]pyrazole;ethoxyethane;ruthenium(2+);dihexafluorophosphate (CID 139086076) is tris(N,N-dimethylpyridin-4-amine);1-[di(pyrazol-1-yl)methyl]pyrazole;ethoxyethane;ruthenium(2+);dihexafluorophosphate.
What is the SMILES notation for tris(N,N-dimethylpyridin-4-amine);1-[di(pyrazol-1-yl)methyl]pyrazole;ethoxyethane;ruthenium(2+);dihexafluorophosphate?
The canonical SMILES for tris(N,N-dimethylpyridin-4-amine);1-[di(pyrazol-1-yl)methyl]pyrazole;ethoxyethane;ruthenium(2+);dihexafluorophosphate is CCOCC.CN(C)c1ccncc1.CN(C)c1ccncc1.CN(C)c1ccncc1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1cnn(C(n2cccn2)n2cccn2)c1.
What is the InChIKey of tris(N,N-dimethylpyridin-4-amine);1-[di(pyrazol-1-yl)methyl]pyrazole;ethoxyethane;ruthenium(2+);dihexafluorophosphate?
The InChIKey is NHOXCAYGVXOIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6.3C7H10N2.C4H10O.2F6P.Ru/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;3*1-9(2)7-3-5-8-6-4-7;1-3-5-4-2;2*1-7(2,3,4,5)6;/h1-10H;3*3-6H,1-2H3;3-4H2,1-2H3;;;/q;;;;;2*-1;+2.
What are the key properties of tris(N,N-dimethylpyridin-4-amine);1-[di(pyrazol-1-yl)methyl]pyrazole;ethoxyethane;ruthenium(2+);dihexafluorophosphate?
tris(N,N-dimethylpyridin-4-amine);1-[di(pyrazol-1-yl)methyl]pyrazole;ethoxyethane;ruthenium(2+);dihexafluorophosphate has a molecular weight of 1045.86 g/mol, XLogP of 12.08, 8 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for tris(N,N-dimethylpyridin-4-amine);1-[di(pyrazol-1-yl)methyl]pyrazole;ethoxyethane;ruthenium(2+);dihexafluorophosphate is sourced from PubChem (CID 139086076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).