azanide;bis(6-azanidylhexylazanide);bis(chloroplatinum(1+));platinum(2+);tetranitrate

C12H40Cl2N14O12Pt3-10 — CID 162012256

IUPACazanide;bis(6-azanidylhexylazanide);bis(chloroplatinum(1+));platinum(2+);tetranitrate
SMILESCl[Pt+].Cl[Pt+].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[NH-]CCCCCC[NH-].[NH-]CCCCCC[NH-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[Pt+2]
InChIInChI=1S/2C6H14N2.2ClH.4NO3.6H2N.3Pt/c2*7-5-3-1-2-4-6-8;;;4*2-1(3)4;;;;;;;;;/h2*7-8H,1-6H2;2*1H;;;;;6*1H2;;;/q2*-2;;;10*-1;3*+2/p-2
InChIKeyJMCVEIKEBUAHNO-UHFFFAOYSA-L
MW1228.68 g/mol
LogP10.02
Rot. Bonds10

About azanide;bis(6-azanidylhexylazanide);bis(chloroplatinum(1+));platinum(2+);tetranitrate

azanide;bis(6-azanidylhexylazanide);bis(chloroplatinum(1+));platinum(2+);tetranitrate (PubChem CID 162012256) has the molecular formula C12H40Cl2N14O12Pt3-10 and a molecular weight of 1228.68 g/mol. Its IUPAC name is azanide;bis(6-azanidylhexylazanide);bis(chloroplatinum(1+));platinum(2+);tetranitrate.

Molecular Properties

Compound Nameazanide;bis(6-azanidylhexylazanide);bis(chloroplatinum(1+));platinum(2+);tetranitrate
PubChem CID162012256
Molecular FormulaC12H40Cl2N14O12Pt3-10
Molecular Weight1228.68 g/mol
Exact Mass1227.13
IUPAC Nameazanide;bis(6-azanidylhexylazanide);bis(chloroplatinum(1+));platinum(2+);tetranitrate
SMILESCl[Pt+].Cl[Pt+].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[NH-]CCCCCC[NH-].[NH-]CCCCCC[NH-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[Pt+2]
InChIInChI=1S/2C6H14N2.2ClH.4NO3.6H2N.3Pt/c2*7-5-3-1-2-4-6-8;;;4*2-1(3)4;;;;;;;;;/h2*7-8H,1-6H2;2*1H;;;;;6*1H2;;;/q2*-2;;;10*-1;3*+2/p-2
InChIKeyJMCVEIKEBUAHNO-UHFFFAOYSA-L
XLogP10.02
TPSA561.00 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001228.68
LogP ≤ 510.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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 azanide;bis(6-azanidylhexylazanide);bis(chloroplatinum(1+));platinum(2+);tetranitrate?
The IUPAC name of azanide;bis(6-azanidylhexylazanide);bis(chloroplatinum(1+));platinum(2+);tetranitrate (CID 162012256) is azanide;bis(6-azanidylhexylazanide);bis(chloroplatinum(1+));platinum(2+);tetranitrate.
What is the SMILES notation for azanide;bis(6-azanidylhexylazanide);bis(chloroplatinum(1+));platinum(2+);tetranitrate?
The canonical SMILES for azanide;bis(6-azanidylhexylazanide);bis(chloroplatinum(1+));platinum(2+);tetranitrate is Cl[Pt+].Cl[Pt+].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[NH-]CCCCCC[NH-].[NH-]CCCCCC[NH-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[Pt+2].
What is the InChIKey of azanide;bis(6-azanidylhexylazanide);bis(chloroplatinum(1+));platinum(2+);tetranitrate?
The InChIKey is JMCVEIKEBUAHNO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H14N2.2ClH.4NO3.6H2N.3Pt/c2*7-5-3-1-2-4-6-8;;;4*2-1(3)4;;;;;;;;;/h2*7-8H,1-6H2;2*1H;;;;;6*1H2;;;/q2*-2;;;10*-1;3*+2/p-2.
What are the key properties of azanide;bis(6-azanidylhexylazanide);bis(chloroplatinum(1+));platinum(2+);tetranitrate?
azanide;bis(6-azanidylhexylazanide);bis(chloroplatinum(1+));platinum(2+);tetranitrate has a molecular weight of 1228.68 g/mol, XLogP of 10.02, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;bis(6-azanidylhexylazanide);bis(chloroplatinum(1+));platinum(2+);tetranitrate is sourced from PubChem (CID 162012256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).