tetrakis(phenyl(pyridin-2-yl)azanide);ruthenium(2+);ruthenium(3+);nitrate

C44H36N9O3Ru2 — CID 139169889

IUPACtetrakis(phenyl(pyridin-2-yl)azanide);ruthenium(2+);ruthenium(3+);nitrate
SMILESO=[N+]([O-])[O-].[Ru+2].[Ru+3].c1ccc([N-]c2ccccn2)cc1.c1ccc([N-]c2ccccn2)cc1.c1ccc([N-]c2ccccn2)cc1.c1ccc([N-]c2ccccn2)cc1
InChIInChI=1S/4C11H9N2.NO3.2Ru/c4*1-2-6-10(7-3-1)13-11-8-4-5-9-12-11;2-1(3)4;;/h4*1-9H;;;/q5*-1;+2;+3
InChIKeyKIXCUHVIHFIWFU-UHFFFAOYSA-N
MW940.97 g/mol
LogP13.43
Rot. Bonds8

About tetrakis(phenyl(pyridin-2-yl)azanide);ruthenium(2+);ruthenium(3+);nitrate

tetrakis(phenyl(pyridin-2-yl)azanide);ruthenium(2+);ruthenium(3+);nitrate (PubChem CID 139169889) has the molecular formula C44H36N9O3Ru2 and a molecular weight of 940.97 g/mol. Its IUPAC name is tetrakis(phenyl(pyridin-2-yl)azanide);ruthenium(2+);ruthenium(3+);nitrate.

Molecular Properties

Compound Nametetrakis(phenyl(pyridin-2-yl)azanide);ruthenium(2+);ruthenium(3+);nitrate
PubChem CID139169889
Molecular FormulaC44H36N9O3Ru2
Molecular Weight940.97 g/mol
Exact Mass942.10
IUPAC Nametetrakis(phenyl(pyridin-2-yl)azanide);ruthenium(2+);ruthenium(3+);nitrate
SMILESO=[N+]([O-])[O-].[Ru+2].[Ru+3].c1ccc([N-]c2ccccn2)cc1.c1ccc([N-]c2ccccn2)cc1.c1ccc([N-]c2ccccn2)cc1.c1ccc([N-]c2ccccn2)cc1
InChIInChI=1S/4C11H9N2.NO3.2Ru/c4*1-2-6-10(7-3-1)13-11-8-4-5-9-12-11;2-1(3)4;;/h4*1-9H;;;/q5*-1;+2;+3
InChIKeyKIXCUHVIHFIWFU-UHFFFAOYSA-N
XLogP13.43
TPSA174.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500940.97
LogP ≤ 513.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetrakis(phenyl(pyridin-2-yl)azanide);ruthenium(2+);ruthenium(3+);nitrate?
The IUPAC name of tetrakis(phenyl(pyridin-2-yl)azanide);ruthenium(2+);ruthenium(3+);nitrate (CID 139169889) is tetrakis(phenyl(pyridin-2-yl)azanide);ruthenium(2+);ruthenium(3+);nitrate.
What is the SMILES notation for tetrakis(phenyl(pyridin-2-yl)azanide);ruthenium(2+);ruthenium(3+);nitrate?
The canonical SMILES for tetrakis(phenyl(pyridin-2-yl)azanide);ruthenium(2+);ruthenium(3+);nitrate is O=[N+]([O-])[O-].[Ru+2].[Ru+3].c1ccc([N-]c2ccccn2)cc1.c1ccc([N-]c2ccccn2)cc1.c1ccc([N-]c2ccccn2)cc1.c1ccc([N-]c2ccccn2)cc1.
What is the InChIKey of tetrakis(phenyl(pyridin-2-yl)azanide);ruthenium(2+);ruthenium(3+);nitrate?
The InChIKey is KIXCUHVIHFIWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/4C11H9N2.NO3.2Ru/c4*1-2-6-10(7-3-1)13-11-8-4-5-9-12-11;2-1(3)4;;/h4*1-9H;;;/q5*-1;+2;+3.
What are the key properties of tetrakis(phenyl(pyridin-2-yl)azanide);ruthenium(2+);ruthenium(3+);nitrate?
tetrakis(phenyl(pyridin-2-yl)azanide);ruthenium(2+);ruthenium(3+);nitrate has a molecular weight of 940.97 g/mol, XLogP of 13.43, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(phenyl(pyridin-2-yl)azanide);ruthenium(2+);ruthenium(3+);nitrate is sourced from PubChem (CID 139169889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).