azane;bis(chloroplatinum(1+));bis(hexane-1,6-diamine);platinum(2+);tetranitrate

C12H50Cl2N14O12Pt3 — CID 91825660

IUPACazane;bis(chloroplatinum(1+));bis(hexane-1,6-diamine);platinum(2+);tetranitrate
SMILESCl[Pt+].Cl[Pt+].N.N.N.N.N.N.NCCCCCCN.NCCCCCCN.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Pt+2]
InChIInChI=1S/2C6H16N2.2ClH.4NO3.6H3N.3Pt/c2*7-5-3-1-2-4-6-8;;;4*2-1(3)4;;;;;;;;;/h2*1-8H2;2*1H;;;;;6*1H3;;;/q;;;;4*-1;;;;;;;3*+2/p-2
InChIKeyRMFNGLHOFHJMHN-UHFFFAOYSA-L
MW1238.76 g/mol
LogP2.32
Rot. Bonds10

About azane;bis(chloroplatinum(1+));bis(hexane-1,6-diamine);platinum(2+);tetranitrate

azane;bis(chloroplatinum(1+));bis(hexane-1,6-diamine);platinum(2+);tetranitrate (PubChem CID 91825660) has the molecular formula C12H50Cl2N14O12Pt3 and a molecular weight of 1238.76 g/mol. Its IUPAC name is azane;bis(chloroplatinum(1+));bis(hexane-1,6-diamine);platinum(2+);tetranitrate.

Molecular Properties

Compound Nameazane;bis(chloroplatinum(1+));bis(hexane-1,6-diamine);platinum(2+);tetranitrate
PubChem CID91825660
Molecular FormulaC12H50Cl2N14O12Pt3
Molecular Weight1238.76 g/mol
Exact Mass1237.21
IUPAC Nameazane;bis(chloroplatinum(1+));bis(hexane-1,6-diamine);platinum(2+);tetranitrate
SMILESCl[Pt+].Cl[Pt+].N.N.N.N.N.N.NCCCCCCN.NCCCCCCN.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Pt+2]
InChIInChI=1S/2C6H16N2.2ClH.4NO3.6H3N.3Pt/c2*7-5-3-1-2-4-6-8;;;4*2-1(3)4;;;;;;;;;/h2*1-8H2;2*1H;;;;;6*1H3;;;/q;;;;4*-1;;;;;;;3*+2/p-2
InChIKeyRMFNGLHOFHJMHN-UHFFFAOYSA-L
XLogP2.32
TPSA578.88 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001238.76
LogP ≤ 52.32
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 azane;bis(chloroplatinum(1+));bis(hexane-1,6-diamine);platinum(2+);tetranitrate?
The IUPAC name of azane;bis(chloroplatinum(1+));bis(hexane-1,6-diamine);platinum(2+);tetranitrate (CID 91825660) is azane;bis(chloroplatinum(1+));bis(hexane-1,6-diamine);platinum(2+);tetranitrate.
What is the SMILES notation for azane;bis(chloroplatinum(1+));bis(hexane-1,6-diamine);platinum(2+);tetranitrate?
The canonical SMILES for azane;bis(chloroplatinum(1+));bis(hexane-1,6-diamine);platinum(2+);tetranitrate is Cl[Pt+].Cl[Pt+].N.N.N.N.N.N.NCCCCCCN.NCCCCCCN.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Pt+2].
What is the InChIKey of azane;bis(chloroplatinum(1+));bis(hexane-1,6-diamine);platinum(2+);tetranitrate?
The InChIKey is RMFNGLHOFHJMHN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H16N2.2ClH.4NO3.6H3N.3Pt/c2*7-5-3-1-2-4-6-8;;;4*2-1(3)4;;;;;;;;;/h2*1-8H2;2*1H;;;;;6*1H3;;;/q;;;;4*-1;;;;;;;3*+2/p-2.
What are the key properties of azane;bis(chloroplatinum(1+));bis(hexane-1,6-diamine);platinum(2+);tetranitrate?
azane;bis(chloroplatinum(1+));bis(hexane-1,6-diamine);platinum(2+);tetranitrate has a molecular weight of 1238.76 g/mol, XLogP of 2.32, 10 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for azane;bis(chloroplatinum(1+));bis(hexane-1,6-diamine);platinum(2+);tetranitrate is sourced from PubChem (CID 91825660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).