platinum(2+);tetrakis(pyridine-3-carboxamide);dihexafluorophosphate;dihydrate

C24H28F12N8O6P2Pt — CID 139153914

IUPACplatinum(2+);tetrakis(pyridine-3-carboxamide);dihexafluorophosphate;dihydrate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.NC(=O)c1cccnc1.NC(=O)c1cccnc1.NC(=O)c1cccnc1.NC(=O)c1cccnc1.O.O.[Pt+2]
InChIInChI=1S/4C6H6N2O.2F6P.2H2O.Pt/c4*7-6(9)5-2-1-3-8-4-5;2*1-7(2,3,4,5)6;;;/h4*1-4H,(H2,7,9);;;2*1H2;/q;;;;2*-1;;;+2
InChIKeyFQMBCROTZJXWKY-UHFFFAOYSA-N
MW1009.54 g/mol
LogP5.83
Rot. Bonds4

About platinum(2+);tetrakis(pyridine-3-carboxamide);dihexafluorophosphate;dihydrate

platinum(2+);tetrakis(pyridine-3-carboxamide);dihexafluorophosphate;dihydrate (PubChem CID 139153914) has the molecular formula C24H28F12N8O6P2Pt and a molecular weight of 1009.54 g/mol. Its IUPAC name is platinum(2+);tetrakis(pyridine-3-carboxamide);dihexafluorophosphate;dihydrate.

Molecular Properties

Compound Nameplatinum(2+);tetrakis(pyridine-3-carboxamide);dihexafluorophosphate;dihydrate
PubChem CID139153914
Molecular FormulaC24H28F12N8O6P2Pt
Molecular Weight1009.54 g/mol
Exact Mass1009.11
IUPAC Nameplatinum(2+);tetrakis(pyridine-3-carboxamide);dihexafluorophosphate;dihydrate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.NC(=O)c1cccnc1.NC(=O)c1cccnc1.NC(=O)c1cccnc1.NC(=O)c1cccnc1.O.O.[Pt+2]
InChIInChI=1S/4C6H6N2O.2F6P.2H2O.Pt/c4*7-6(9)5-2-1-3-8-4-5;2*1-7(2,3,4,5)6;;;/h4*1-4H,(H2,7,9);;;2*1H2;/q;;;;2*-1;;;+2
InChIKeyFQMBCROTZJXWKY-UHFFFAOYSA-N
XLogP5.83
TPSA286.92 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001009.54
LogP ≤ 55.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

CID 175154223
CID 175154223
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butanedioic acid;pyridine-3-carboxamide
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pyridine-3-carboxamide;pyridin-1-ium-3-carboxamide;chloride;hydrate
CID 139196408
pyridine-3-carboxamide;1,3-thiazole
CID 174906331
4-aminobenzoic acid;pyridine-3-carboxamide
CID 23082444
1,3-diazinane-2,4,5,6-tetrone;pyridine-3-carboxamide
CID 19738379

Frequently Asked Questions

What is the IUPAC name of platinum(2+);tetrakis(pyridine-3-carboxamide);dihexafluorophosphate;dihydrate?
The IUPAC name of platinum(2+);tetrakis(pyridine-3-carboxamide);dihexafluorophosphate;dihydrate (CID 139153914) is platinum(2+);tetrakis(pyridine-3-carboxamide);dihexafluorophosphate;dihydrate.
What is the SMILES notation for platinum(2+);tetrakis(pyridine-3-carboxamide);dihexafluorophosphate;dihydrate?
The canonical SMILES for platinum(2+);tetrakis(pyridine-3-carboxamide);dihexafluorophosphate;dihydrate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.NC(=O)c1cccnc1.NC(=O)c1cccnc1.NC(=O)c1cccnc1.NC(=O)c1cccnc1.O.O.[Pt+2].
What is the InChIKey of platinum(2+);tetrakis(pyridine-3-carboxamide);dihexafluorophosphate;dihydrate?
The InChIKey is FQMBCROTZJXWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H6N2O.2F6P.2H2O.Pt/c4*7-6(9)5-2-1-3-8-4-5;2*1-7(2,3,4,5)6;;;/h4*1-4H,(H2,7,9);;;2*1H2;/q;;;;2*-1;;;+2.
What are the key properties of platinum(2+);tetrakis(pyridine-3-carboxamide);dihexafluorophosphate;dihydrate?
platinum(2+);tetrakis(pyridine-3-carboxamide);dihexafluorophosphate;dihydrate has a molecular weight of 1009.54 g/mol, XLogP of 5.83, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(2+);tetrakis(pyridine-3-carboxamide);dihexafluorophosphate;dihydrate is sourced from PubChem (CID 139153914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).