tris(platinum(2+));hexanitrate

N6O18Pt3 — CID 158036528

IUPACtris(platinum(2+));hexanitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/6NO3.3Pt/c6*2-1(3)4;;;/q6*-1;3*+2
InChIKeyFHUUJQHWJZNDEX-UHFFFAOYSA-N
MW957.26 g/mol
LogP-1.44
Rot. Bonds

About tris(platinum(2+));hexanitrate

tris(platinum(2+));hexanitrate (PubChem CID 158036528) has the molecular formula N6O18Pt3 and a molecular weight of 957.26 g/mol. Its IUPAC name is tris(platinum(2+));hexanitrate.

Molecular Properties

Compound Nametris(platinum(2+));hexanitrate
PubChem CID158036528
Molecular FormulaN6O18Pt3
Molecular Weight957.26 g/mol
Exact Mass956.82
IUPAC Nametris(platinum(2+));hexanitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/6NO3.3Pt/c6*2-1(3)4;;;/q6*-1;3*+2
InChIKeyFHUUJQHWJZNDEX-UHFFFAOYSA-N
XLogP-1.44
TPSA397.20 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms27
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500957.26
LogP ≤ 5-1.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

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 tris(platinum(2+));hexanitrate?
The IUPAC name of tris(platinum(2+));hexanitrate (CID 158036528) is tris(platinum(2+));hexanitrate.
What is the SMILES notation for tris(platinum(2+));hexanitrate?
The canonical SMILES for tris(platinum(2+));hexanitrate is O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of tris(platinum(2+));hexanitrate?
The InChIKey is FHUUJQHWJZNDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/6NO3.3Pt/c6*2-1(3)4;;;/q6*-1;3*+2.
What are the key properties of tris(platinum(2+));hexanitrate?
tris(platinum(2+));hexanitrate has a molecular weight of 957.26 g/mol, XLogP of -1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tris(platinum(2+));hexanitrate is sourced from PubChem (CID 158036528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).