azane;chloroplatinum;chloroplatinum(1+);heptan-1-amine;heptan-1-amine;tetrakis(nitric acid);platinum

C14H54Cl2N12O12Pt3+ — CID 160844872

IUPACazane;chloroplatinum;chloroplatinum(1+);heptan-1-amine;heptan-1-amine;tetrakis(nitric acid);platinum
SMILESCl[Pt+].Cl[Pt].N.N.N.N.N.N.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.[CH2+]CCCCCCN.[CH2-]CCCCCCN.[Pt]
InChIInChI=1S/2C7H16N.2ClH.4HNO3.6H3N.3Pt/c2*1-2-3-4-5-6-7-8;;;4*2-1(3)4;;;;;;;;;/h2*1-8H2;2*1H;4*(H,2,3,4);6*1H3;;;/q-1;+1;;;;;;;;;;;;;;+1;+2/p-2
InChIKeyOKDHGQARPSKKKM-UHFFFAOYSA-L
MW1238.80 g/mol
LogP4.41
Rot. Bonds10

About azane;chloroplatinum;chloroplatinum(1+);heptan-1-amine;heptan-1-amine;tetrakis(nitric acid);platinum

azane;chloroplatinum;chloroplatinum(1+);heptan-1-amine;heptan-1-amine;tetrakis(nitric acid);platinum (PubChem CID 160844872) has the molecular formula C14H54Cl2N12O12Pt3+ and a molecular weight of 1238.80 g/mol. Its IUPAC name is azane;chloroplatinum;chloroplatinum(1+);heptan-1-amine;heptan-1-amine;tetrakis(nitric acid);platinum.

Molecular Properties

Compound Nameazane;chloroplatinum;chloroplatinum(1+);heptan-1-amine;heptan-1-amine;tetrakis(nitric acid);platinum
PubChem CID160844872
Molecular FormulaC14H54Cl2N12O12Pt3+
Molecular Weight1238.80 g/mol
Exact Mass1237.23
IUPAC Nameazane;chloroplatinum;chloroplatinum(1+);heptan-1-amine;heptan-1-amine;tetrakis(nitric acid);platinum
SMILESCl[Pt+].Cl[Pt].N.N.N.N.N.N.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.[CH2+]CCCCCCN.[CH2-]CCCCCCN.[Pt]
InChIInChI=1S/2C7H16N.2ClH.4HNO3.6H3N.3Pt/c2*1-2-3-4-5-6-7-8;;;4*2-1(3)4;;;;;;;;;/h2*1-8H2;2*1H;4*(H,2,3,4);6*1H3;;;/q-1;+1;;;;;;;;;;;;;;+1;+2/p-2
InChIKeyOKDHGQARPSKKKM-UHFFFAOYSA-L
XLogP4.41
TPSA515.52 Ų
H-Bond Donors12
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001238.80
LogP ≤ 54.41
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', '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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CID 25117248
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CID 91825660
Azane;chloronioplatinum;chloroplatinum(1+);heptan-1-amine;heptan-1-amine;nitric acid;platinum
CID 157543779
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CID 158674096
Azanide;bis(6-azanidylhexylazanide);bis(chloroplatinum(1+));platinum(2+);tetranitrate
CID 162012256
Azanide;bis(6-azanidylhexylazanide);chloroplatinum;platinum(4+);tetranitrate
CID 9833585
Azanide;6-azanidylhexylazanide;chloroplatinum;bis(nitric acid)
CID 9853676
Azane;bis(chloroplatinum(1+));bis(pentane-1,5-diamine);platinum(2+);tetranitrate
CID 9855093
Azanide;chloroplatinum;bis(hexane-1,6-diamine);platinum(4+);tetranitrate
CID 9876975
Azane;hexane-1,6-diamine;bis(platinum(2+));dichloride;dinitrate
CID 10078901

Frequently Asked Questions

What is the IUPAC name of azane;chloroplatinum;chloroplatinum(1+);heptan-1-amine;heptan-1-amine;tetrakis(nitric acid);platinum?
The IUPAC name of azane;chloroplatinum;chloroplatinum(1+);heptan-1-amine;heptan-1-amine;tetrakis(nitric acid);platinum (CID 160844872) is azane;chloroplatinum;chloroplatinum(1+);heptan-1-amine;heptan-1-amine;tetrakis(nitric acid);platinum.
What is the SMILES notation for azane;chloroplatinum;chloroplatinum(1+);heptan-1-amine;heptan-1-amine;tetrakis(nitric acid);platinum?
The canonical SMILES for azane;chloroplatinum;chloroplatinum(1+);heptan-1-amine;heptan-1-amine;tetrakis(nitric acid);platinum is Cl[Pt+].Cl[Pt].N.N.N.N.N.N.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.[CH2+]CCCCCCN.[CH2-]CCCCCCN.[Pt].
What is the InChIKey of azane;chloroplatinum;chloroplatinum(1+);heptan-1-amine;heptan-1-amine;tetrakis(nitric acid);platinum?
The InChIKey is OKDHGQARPSKKKM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H16N.2ClH.4HNO3.6H3N.3Pt/c2*1-2-3-4-5-6-7-8;;;4*2-1(3)4;;;;;;;;;/h2*1-8H2;2*1H;4*(H,2,3,4);6*1H3;;;/q-1;+1;;;;;;;;;;;;;;+1;+2/p-2.
What are the key properties of azane;chloroplatinum;chloroplatinum(1+);heptan-1-amine;heptan-1-amine;tetrakis(nitric acid);platinum?
azane;chloroplatinum;chloroplatinum(1+);heptan-1-amine;heptan-1-amine;tetrakis(nitric acid);platinum has a molecular weight of 1238.80 g/mol, XLogP of 4.41, 10 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for azane;chloroplatinum;chloroplatinum(1+);heptan-1-amine;heptan-1-amine;tetrakis(nitric acid);platinum is sourced from PubChem (CID 160844872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).