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

C14H55Cl2N12O12Pt3 — CID 158674096

IUPACazane;chloroplatinum;chloroplatinum(1+);heptan-1-amine;heptan-1-amine;tetrakis(nitric acid);platinum
SMILESCCCCCCCN.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.[Pt]
InChIInChI=1S/C7H17N.C7H16N.2ClH.4HNO3.6H3N.3Pt/c2*1-2-3-4-5-6-7-8;;;4*2-1(3)4;;;;;;;;;/h2-8H2,1H3;1-8H2;2*1H;4*(H,2,3,4);6*1H3;;;/q;-1;;;;;;;;;;;;;;+1;+2/p-2
InChIKeyKPMMJERVGXAEHP-UHFFFAOYSA-L
MW1239.81 g/mol
LogP4.60
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 158674096) has the molecular formula C14H55Cl2N12O12Pt3 and a molecular weight of 1239.81 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 CID158674096
Molecular FormulaC14H55Cl2N12O12Pt3
Molecular Weight1239.81 g/mol
Exact Mass1238.24
IUPAC Nameazane;chloroplatinum;chloroplatinum(1+);heptan-1-amine;heptan-1-amine;tetrakis(nitric acid);platinum
SMILESCCCCCCCN.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.[Pt]
InChIInChI=1S/C7H17N.C7H16N.2ClH.4HNO3.6H3N.3Pt/c2*1-2-3-4-5-6-7-8;;;4*2-1(3)4;;;;;;;;;/h2-8H2,1H3;1-8H2;2*1H;4*(H,2,3,4);6*1H3;;;/q;-1;;;;;;;;;;;;;;+1;+2/p-2
InChIKeyKPMMJERVGXAEHP-UHFFFAOYSA-L
XLogP4.60
TPSA515.52 Ų
H-Bond Donors12
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001239.81
LogP ≤ 54.60
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 160844872
Azanide;bis(6-azanidylhexylazanide);bis(chloroplatinum(1+));platinum(2+);tetranitrate
CID 162012256
Tris(nitric acid);tris(octan-1-amine)
CID 173444772
Bis(hexan-1-amine);bis(nitric acid)
CID 175785363
Azanide;bis(6-azanidylhexylazanide);chloroplatinum;platinum(4+);tetranitrate
CID 9833585
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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

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 158674096) 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 CCCCCCCN.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.[Pt].
What is the InChIKey of azane;chloroplatinum;chloroplatinum(1+);heptan-1-amine;heptan-1-amine;tetrakis(nitric acid);platinum?
The InChIKey is KPMMJERVGXAEHP-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H17N.C7H16N.2ClH.4HNO3.6H3N.3Pt/c2*1-2-3-4-5-6-7-8;;;4*2-1(3)4;;;;;;;;;/h2-8H2,1H3;1-8H2;2*1H;4*(H,2,3,4);6*1H3;;;/q;-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 1239.81 g/mol, XLogP of 4.60, 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 158674096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).