phenyl-(2-phenylazanidylphenyl)azanide;bis(phenyl(pyridin-2-yl)diazene);ruthenium(3+);hexafluorophosphate

C40H32F6N8PRu — CID 139142892

IUPACphenyl-(2-phenylazanidylphenyl)azanide;bis(phenyl(pyridin-2-yl)diazene);ruthenium(3+);hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.[Ru+3].c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1.c1ccc([N-]c2ccccc2[N-]c2ccccc2)cc1
InChIInChI=1S/C18H14N2.2C11H9N3.F6P.Ru/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20-16-11-5-2-6-12-16;2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11;1-7(2,3,4,5)6;/h1-14H;2*1-9H;;/q-2;;;-1;+3/b;2*14-13+;;
InChIKeyDMEAXKAAJBEPPW-OIKZWZCYSA-N
MW870.78 g/mol
LogP16.73
Rot. Bonds8

About phenyl-(2-phenylazanidylphenyl)azanide;bis(phenyl(pyridin-2-yl)diazene);ruthenium(3+);hexafluorophosphate

phenyl-(2-phenylazanidylphenyl)azanide;bis(phenyl(pyridin-2-yl)diazene);ruthenium(3+);hexafluorophosphate (PubChem CID 139142892) has the molecular formula C40H32F6N8PRu and a molecular weight of 870.78 g/mol. Its IUPAC name is phenyl-(2-phenylazanidylphenyl)azanide;bis(phenyl(pyridin-2-yl)diazene);ruthenium(3+);hexafluorophosphate.

Molecular Properties

Compound Namephenyl-(2-phenylazanidylphenyl)azanide;bis(phenyl(pyridin-2-yl)diazene);ruthenium(3+);hexafluorophosphate
PubChem CID139142892
Molecular FormulaC40H32F6N8PRu
Molecular Weight870.78 g/mol
Exact Mass871.14
IUPAC Namephenyl-(2-phenylazanidylphenyl)azanide;bis(phenyl(pyridin-2-yl)diazene);ruthenium(3+);hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.[Ru+3].c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1.c1ccc([N-]c2ccccc2[N-]c2ccccc2)cc1
InChIInChI=1S/C18H14N2.2C11H9N3.F6P.Ru/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20-16-11-5-2-6-12-16;2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11;1-7(2,3,4,5)6;/h1-14H;2*1-9H;;/q-2;;;-1;+3/b;2*14-13+;;
InChIKeyDMEAXKAAJBEPPW-OIKZWZCYSA-N
XLogP16.73
TPSA103.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.78
LogP ≤ 516.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Osmium(2+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide)
CID 139127812
[(E)-(6-phenyliminocyclohexa-2,4-dien-1-ylidene)amino]-pyridin-2-ylazanide;phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide;ruthenium(2+)
CID 139127814
molybdenum(4+);phenyl-[2-[(Z)-pyridin-1-id-2-ylideneamino]azanidylphenyl]azanide;phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide
CID 139130643
Chromium(3+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);perchlorate
CID 139133163
molybdenum;oxygen(2-);phenyl-[(Z)-pyridin-1-id-2-ylideneamino]azanide;bis(phenyl-[2-[(Z)-pyridin-1-id-2-ylideneamino]azanidylphenyl]azanide);phenyl(pyridin-2-yl)diazene
CID 139141599
Nickel;tetrakis(phenyl(pyridin-2-yl)diazene)
CID 139142407
Manganese(2+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide)
CID 139153641
Bis(acetonitrile);phenyl(pyridin-2-yl)diazene;2-pyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate
CID 139164915
5,7-Dipyridin-2-yl-[1,3,2]benzodiazaphospholo[1,2-a][1,3,2]benzodiazaphosphole
CID 168335524
[(4-Methylcyclohexa-2,4-dien-1-ylidene)-phenyldiazenylmethyl]-phenyldiazene;bis(phenyl(pyridin-2-yl)diazene);ruthenium;perchlorate
CID 168338470
(2,3-dimethyl-2H-imidazol-1-yl)methyl-methyl-diphenylphosphanium;2-(2,3-dimethyl-2H-imidazol-1-yl)-1-methylpyridin-1-ium;1,2-dimethyl-3-(1-methylpyridin-1-ium-2-yl)-2H-benzimidazole;methyl-[(1-methylpyridin-1-ium-2-yl)methyl]-diphenylphosphanium;3,4,11,12-tetramethyl-1,2,4,11-tetrazatricyclo[7.3.0.02,6]dodeca-5,7,9-triene
CID 162108649
3-cyclohexa-1,5-dien-1-yl-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;phenyl(phenylazanidylmethyl)azanide;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;phenyl(phenyliminomethyl)azanide;platinum;platinum(4+)
CID 172164193

Frequently Asked Questions

What is the IUPAC name of phenyl-(2-phenylazanidylphenyl)azanide;bis(phenyl(pyridin-2-yl)diazene);ruthenium(3+);hexafluorophosphate?
The IUPAC name of phenyl-(2-phenylazanidylphenyl)azanide;bis(phenyl(pyridin-2-yl)diazene);ruthenium(3+);hexafluorophosphate (CID 139142892) is phenyl-(2-phenylazanidylphenyl)azanide;bis(phenyl(pyridin-2-yl)diazene);ruthenium(3+);hexafluorophosphate.
What is the SMILES notation for phenyl-(2-phenylazanidylphenyl)azanide;bis(phenyl(pyridin-2-yl)diazene);ruthenium(3+);hexafluorophosphate?
The canonical SMILES for phenyl-(2-phenylazanidylphenyl)azanide;bis(phenyl(pyridin-2-yl)diazene);ruthenium(3+);hexafluorophosphate is F[P-](F)(F)(F)(F)F.[Ru+3].c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1.c1ccc([N-]c2ccccc2[N-]c2ccccc2)cc1.
What is the InChIKey of phenyl-(2-phenylazanidylphenyl)azanide;bis(phenyl(pyridin-2-yl)diazene);ruthenium(3+);hexafluorophosphate?
The InChIKey is DMEAXKAAJBEPPW-OIKZWZCYSA-N. The full InChI is InChI=1S/C18H14N2.2C11H9N3.F6P.Ru/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20-16-11-5-2-6-12-16;2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11;1-7(2,3,4,5)6;/h1-14H;2*1-9H;;/q-2;;;-1;+3/b;2*14-13+;;.
What are the key properties of phenyl-(2-phenylazanidylphenyl)azanide;bis(phenyl(pyridin-2-yl)diazene);ruthenium(3+);hexafluorophosphate?
phenyl-(2-phenylazanidylphenyl)azanide;bis(phenyl(pyridin-2-yl)diazene);ruthenium(3+);hexafluorophosphate has a molecular weight of 870.78 g/mol, XLogP of 16.73, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2-phenylazanidylphenyl)azanide;bis(phenyl(pyridin-2-yl)diazene);ruthenium(3+);hexafluorophosphate is sourced from PubChem (CID 139142892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).