tris((3,5-dinitrophenyl)-hydroxysilane);oxygen(2-);vanadium(2+)

C18H18N6O16Si3V — CID 173459011

IUPACtris((3,5-dinitrophenyl)-hydroxysilane);oxygen(2-);vanadium(2+)
SMILESO=[N+]([O-])c1cc([SiH2]O)cc([N+](=O)[O-])c1.O=[N+]([O-])c1cc([SiH2]O)cc([N+](=O)[O-])c1.O=[N+]([O-])c1cc([SiH2]O)cc([N+](=O)[O-])c1.[O-2].[V+2]
InChIInChI=1S/3C6H6N2O5Si.O.V/c3*9-7(10)4-1-5(8(11)12)3-6(2-4)14-13;;/h3*1-3,13H,14H2;;/q;;;-2;+2
InChIKeyVLLBFOVNCZOLTD-UHFFFAOYSA-N
MW709.57 g/mol
LogP-2.51
Rot. Bonds9

About tris((3,5-dinitrophenyl)-hydroxysilane);oxygen(2-);vanadium(2+)

tris((3,5-dinitrophenyl)-hydroxysilane);oxygen(2-);vanadium(2+) (PubChem CID 173459011) has the molecular formula C18H18N6O16Si3V and a molecular weight of 709.57 g/mol. Its IUPAC name is tris((3,5-dinitrophenyl)-hydroxysilane);oxygen(2-);vanadium(2+).

Molecular Properties

Compound Nametris((3,5-dinitrophenyl)-hydroxysilane);oxygen(2-);vanadium(2+)
PubChem CID173459011
Molecular FormulaC18H18N6O16Si3V
Molecular Weight709.57 g/mol
Exact Mass708.95
IUPAC Nametris((3,5-dinitrophenyl)-hydroxysilane);oxygen(2-);vanadium(2+)
SMILESO=[N+]([O-])c1cc([SiH2]O)cc([N+](=O)[O-])c1.O=[N+]([O-])c1cc([SiH2]O)cc([N+](=O)[O-])c1.O=[N+]([O-])c1cc([SiH2]O)cc([N+](=O)[O-])c1.[O-2].[V+2]
InChIInChI=1S/3C6H6N2O5Si.O.V/c3*9-7(10)4-1-5(8(11)12)3-6(2-4)14-13;;/h3*1-3,13H,14H2;;/q;;;-2;+2
InChIKeyVLLBFOVNCZOLTD-UHFFFAOYSA-N
XLogP-2.51
TPSA348.03 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.57
LogP ≤ 5-2.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tris((3,5-dinitrophenyl)-hydroxysilane);oxygen(2-);vanadium(2+)?
The IUPAC name of tris((3,5-dinitrophenyl)-hydroxysilane);oxygen(2-);vanadium(2+) (CID 173459011) is tris((3,5-dinitrophenyl)-hydroxysilane);oxygen(2-);vanadium(2+).
What is the SMILES notation for tris((3,5-dinitrophenyl)-hydroxysilane);oxygen(2-);vanadium(2+)?
The canonical SMILES for tris((3,5-dinitrophenyl)-hydroxysilane);oxygen(2-);vanadium(2+) is O=[N+]([O-])c1cc([SiH2]O)cc([N+](=O)[O-])c1.O=[N+]([O-])c1cc([SiH2]O)cc([N+](=O)[O-])c1.O=[N+]([O-])c1cc([SiH2]O)cc([N+](=O)[O-])c1.[O-2].[V+2].
What is the InChIKey of tris((3,5-dinitrophenyl)-hydroxysilane);oxygen(2-);vanadium(2+)?
The InChIKey is VLLBFOVNCZOLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H6N2O5Si.O.V/c3*9-7(10)4-1-5(8(11)12)3-6(2-4)14-13;;/h3*1-3,13H,14H2;;/q;;;-2;+2.
What are the key properties of tris((3,5-dinitrophenyl)-hydroxysilane);oxygen(2-);vanadium(2+)?
tris((3,5-dinitrophenyl)-hydroxysilane);oxygen(2-);vanadium(2+) has a molecular weight of 709.57 g/mol, XLogP of -2.51, 9 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for tris((3,5-dinitrophenyl)-hydroxysilane);oxygen(2-);vanadium(2+) is sourced from PubChem (CID 173459011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).