azane;bis(N-phenylcarbamate);platinum(4+);dichloride

C14H18Cl2N4O4Pt — CID 76684060

IUPACazane;bis(N-phenylcarbamate);platinum(4+);dichloride
SMILESN.N.O=C([O-])Nc1ccccc1.O=C([O-])Nc1ccccc1.[Cl-].[Cl-].[Pt+4]
InChIInChI=1S/2C7H7NO2.2ClH.2H3N.Pt/c2*9-7(10)8-6-4-2-1-3-5-6;;;;;/h2*1-5,8H,(H,9,10);2*1H;2*1H3;/q;;;;;;+4/p-4
InChIKeyTXZMTJPFCNFDKB-UHFFFAOYSA-J
MW572.31 g/mol
LogP-4.79
Rot. Bonds2

About azane;bis(N-phenylcarbamate);platinum(4+);dichloride

azane;bis(N-phenylcarbamate);platinum(4+);dichloride (PubChem CID 76684060) has the molecular formula C14H18Cl2N4O4Pt and a molecular weight of 572.31 g/mol. Its IUPAC name is azane;bis(N-phenylcarbamate);platinum(4+);dichloride.

Molecular Properties

Compound Nameazane;bis(N-phenylcarbamate);platinum(4+);dichloride
PubChem CID76684060
Molecular FormulaC14H18Cl2N4O4Pt
Molecular Weight572.31 g/mol
Exact Mass571.04
IUPAC Nameazane;bis(N-phenylcarbamate);platinum(4+);dichloride
SMILESN.N.O=C([O-])Nc1ccccc1.O=C([O-])Nc1ccccc1.[Cl-].[Cl-].[Pt+4]
InChIInChI=1S/2C7H7NO2.2ClH.2H3N.Pt/c2*9-7(10)8-6-4-2-1-3-5-6;;;;;/h2*1-5,8H,(H,9,10);2*1H;2*1H3;/q;;;;;;+4/p-4
InChIKeyTXZMTJPFCNFDKB-UHFFFAOYSA-J
XLogP-4.79
TPSA174.32 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.31
LogP ≤ 5-4.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of azane;bis(N-phenylcarbamate);platinum(4+);dichloride?
The IUPAC name of azane;bis(N-phenylcarbamate);platinum(4+);dichloride (CID 76684060) is azane;bis(N-phenylcarbamate);platinum(4+);dichloride.
What is the SMILES notation for azane;bis(N-phenylcarbamate);platinum(4+);dichloride?
The canonical SMILES for azane;bis(N-phenylcarbamate);platinum(4+);dichloride is N.N.O=C([O-])Nc1ccccc1.O=C([O-])Nc1ccccc1.[Cl-].[Cl-].[Pt+4].
What is the InChIKey of azane;bis(N-phenylcarbamate);platinum(4+);dichloride?
The InChIKey is TXZMTJPFCNFDKB-UHFFFAOYSA-J. The full InChI is InChI=1S/2C7H7NO2.2ClH.2H3N.Pt/c2*9-7(10)8-6-4-2-1-3-5-6;;;;;/h2*1-5,8H,(H,9,10);2*1H;2*1H3;/q;;;;;;+4/p-4.
What are the key properties of azane;bis(N-phenylcarbamate);platinum(4+);dichloride?
azane;bis(N-phenylcarbamate);platinum(4+);dichloride has a molecular weight of 572.31 g/mol, XLogP of -4.79, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;bis(N-phenylcarbamate);platinum(4+);dichloride is sourced from PubChem (CID 76684060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).