dichloroplatinum;bis(3,5-dimethylpyrazol-1-ide);methane;tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)

C62H58Cl2F6N23Pt5- — CID 157144331

IUPACdichloroplatinum;bis(3,5-dimethylpyrazol-1-ide);methane;tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
SMILESC.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.Cl[Pt]Cl.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].c1cn[n-]c1.c1cn[n-]c1
InChIInChI=1S/2C9H5F3N3.3C9H8N3.2C5H7N2.2C3H3N2.CH4.2ClH.5Pt/c2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;3*1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-4-3-5(2)7-6-4;2*1-2-4-5-3-1;;;;;;;;/h2*1-5H;3*2-6H,1H3;2*3H,1-2H3;2*1-3H;1H4;2*1H;;;;;/q9*-1;;;;5*+2/p-2
InChIKeyVVWOYOJSQZTKAD-UHFFFAOYSA-L
MW2285.59 g/mol
LogP11.86
Rot. Bonds5

About dichloroplatinum;bis(3,5-dimethylpyrazol-1-ide);methane;tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)

dichloroplatinum;bis(3,5-dimethylpyrazol-1-ide);methane;tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) (PubChem CID 157144331) has the molecular formula C62H58Cl2F6N23Pt5- and a molecular weight of 2285.59 g/mol. Its IUPAC name is dichloroplatinum;bis(3,5-dimethylpyrazol-1-ide);methane;tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine).

Molecular Properties

Compound Namedichloroplatinum;bis(3,5-dimethylpyrazol-1-ide);methane;tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
PubChem CID157144331
Molecular FormulaC62H58Cl2F6N23Pt5-
Molecular Weight2285.59 g/mol
Exact Mass2283.28
IUPAC Namedichloroplatinum;bis(3,5-dimethylpyrazol-1-ide);methane;tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
SMILESC.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.Cl[Pt]Cl.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].c1cn[n-]c1.c1cn[n-]c1
InChIInChI=1S/2C9H5F3N3.3C9H8N3.2C5H7N2.2C3H3N2.CH4.2ClH.5Pt/c2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;3*1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-4-3-5(2)7-6-4;2*1-2-4-5-3-1;;;;;;;;/h2*1-5H;3*2-6H,1H3;2*3H,1-2H3;2*1-3H;1H4;2*1H;;;;;/q9*-1;;;;5*+2/p-2
InChIKeyVVWOYOJSQZTKAD-UHFFFAOYSA-L
XLogP11.86
TPSA307.36 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds5
Heavy Atoms98
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002285.59
LogP ≤ 511.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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Frequently Asked Questions

What is the IUPAC name of dichloroplatinum;bis(3,5-dimethylpyrazol-1-ide);methane;tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
The IUPAC name of dichloroplatinum;bis(3,5-dimethylpyrazol-1-ide);methane;tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) (CID 157144331) is dichloroplatinum;bis(3,5-dimethylpyrazol-1-ide);methane;tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine).
What is the SMILES notation for dichloroplatinum;bis(3,5-dimethylpyrazol-1-ide);methane;tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
The canonical SMILES for dichloroplatinum;bis(3,5-dimethylpyrazol-1-ide);methane;tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) is C.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.Cl[Pt]Cl.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].c1cn[n-]c1.c1cn[n-]c1.
What is the InChIKey of dichloroplatinum;bis(3,5-dimethylpyrazol-1-ide);methane;tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
The InChIKey is VVWOYOJSQZTKAD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H5F3N3.3C9H8N3.2C5H7N2.2C3H3N2.CH4.2ClH.5Pt/c2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;3*1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-4-3-5(2)7-6-4;2*1-2-4-5-3-1;;;;;;;;/h2*1-5H;3*2-6H,1H3;2*3H,1-2H3;2*1-3H;1H4;2*1H;;;;;/q9*-1;;;;5*+2/p-2.
What are the key properties of dichloroplatinum;bis(3,5-dimethylpyrazol-1-ide);methane;tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
dichloroplatinum;bis(3,5-dimethylpyrazol-1-ide);methane;tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) has a molecular weight of 2285.59 g/mol, XLogP of 11.86, 5 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroplatinum;bis(3,5-dimethylpyrazol-1-ide);methane;tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) is sourced from PubChem (CID 157144331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).