bis(acetonitrile);phenyl(pyridin-2-yl)diazene;2-pyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate

C25H23F12N7P2Ru — CID 139164915

IUPACbis(acetonitrile);phenyl(pyridin-2-yl)diazene;2-pyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate
SMILESCC#N.CC#N.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(/N=N/c2ccccn2)cc1
InChIInChI=1S/C11H9N3.C10H8N2.2C2H3N.2F6P.Ru/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-3;2*1-7(2,3,4,5)6;/h1-9H;1-8H;2*1H3;;;/q;;;;2*-1;+2/b14-13+;;;;;;
InChIKeyHVZQPIVOIGFOEZ-SSXBCGQJSA-N
MW812.50 g/mol
LogP13.46
Rot. Bonds3

About bis(acetonitrile);phenyl(pyridin-2-yl)diazene;2-pyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate

bis(acetonitrile);phenyl(pyridin-2-yl)diazene;2-pyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate (PubChem CID 139164915) has the molecular formula C25H23F12N7P2Ru and a molecular weight of 812.50 g/mol. Its IUPAC name is bis(acetonitrile);phenyl(pyridin-2-yl)diazene;2-pyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate.

Molecular Properties

Compound Namebis(acetonitrile);phenyl(pyridin-2-yl)diazene;2-pyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate
PubChem CID139164915
Molecular FormulaC25H23F12N7P2Ru
Molecular Weight812.50 g/mol
Exact Mass813.03
IUPAC Namebis(acetonitrile);phenyl(pyridin-2-yl)diazene;2-pyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate
SMILESCC#N.CC#N.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(/N=N/c2ccccn2)cc1
InChIInChI=1S/C11H9N3.C10H8N2.2C2H3N.2F6P.Ru/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-3;2*1-7(2,3,4,5)6;/h1-9H;1-8H;2*1H3;;;/q;;;;2*-1;+2/b14-13+;;;;;;
InChIKeyHVZQPIVOIGFOEZ-SSXBCGQJSA-N
XLogP13.46
TPSA110.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.50
LogP ≤ 513.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

11,13-Bis(fluoranyl)-8-(1-methyl-3-pyridin-2-yl-imidazol-2-yl)-8-(1-methyl-3-pyridin-2-yl-imidazol-2-yl)-7$l^{4}-aza-8$l^{4}-platinatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene
CID 164946671
(Nitro-kappaN)[2-(phenyldiazenyl-kappaN^2^)pyridine-kappaN] (2,2',6',2''-terpyridine-kappa^3^N)ruthenium(II) tetrafluoroborate
CID 139058292
Bis(acetonitrile);pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
CID 139133343
Phenyl-(2-phenylazanidylphenyl)azanide;bis(phenyl(pyridin-2-yl)diazene);ruthenium(3+);hexafluorophosphate
CID 139142892
bis(acetonitrile);N-(4-methylphenyl)-1-pyridin-2-ylmethanimine;2-pyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate
CID 139164914
CID 53375352
CID 53375352
(E)-bis(6-pyridin-2-yl-2-pyridinyl)diazene
CID 90478102
Bis(6-pyridin-2-yl-2-pyridinyl)diazene
CID 101422714
(Z)-bis(6-pyridin-2-yl-2-pyridinyl)diazene
CID 131888183
1,3-diphenyl-5-(2-pyridin-2-ylethyl)-2H-imidazo[4,5-b]pyrazine
CID 140758529

Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);phenyl(pyridin-2-yl)diazene;2-pyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate?
The IUPAC name of bis(acetonitrile);phenyl(pyridin-2-yl)diazene;2-pyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate (CID 139164915) is bis(acetonitrile);phenyl(pyridin-2-yl)diazene;2-pyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate.
What is the SMILES notation for bis(acetonitrile);phenyl(pyridin-2-yl)diazene;2-pyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate?
The canonical SMILES for bis(acetonitrile);phenyl(pyridin-2-yl)diazene;2-pyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate is CC#N.CC#N.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(/N=N/c2ccccn2)cc1.
What is the InChIKey of bis(acetonitrile);phenyl(pyridin-2-yl)diazene;2-pyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate?
The InChIKey is HVZQPIVOIGFOEZ-SSXBCGQJSA-N. The full InChI is InChI=1S/C11H9N3.C10H8N2.2C2H3N.2F6P.Ru/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-3;2*1-7(2,3,4,5)6;/h1-9H;1-8H;2*1H3;;;/q;;;;2*-1;+2/b14-13+;;;;;;.
What are the key properties of bis(acetonitrile);phenyl(pyridin-2-yl)diazene;2-pyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate?
bis(acetonitrile);phenyl(pyridin-2-yl)diazene;2-pyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate has a molecular weight of 812.50 g/mol, XLogP of 13.46, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);phenyl(pyridin-2-yl)diazene;2-pyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate is sourced from PubChem (CID 139164915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).