bis(platinum(2+));propan-2-one;bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)

C27H22F6N10OPt2 — CID 139141460

About bis(platinum(2+));propan-2-one;bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)

bis(platinum(2+));propan-2-one;bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) (PubChem CID 139141460) has the molecular formula C27H22F6N10OPt2 and a molecular weight of 1006.69 g/mol. Its IUPAC name is bis(platinum(2+));propan-2-one;bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine).

Molecular Properties

• Compound Name: bis(platinum(2+));propan-2-one;bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
• PubChem CID: 139141460
• Molecular Formula: C27H22F6N10OPt2
• Molecular Weight: 1006.69 g/mol
• Exact Mass: 1006.12
• IUPAC Name: bis(platinum(2+));propan-2-one;bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
• SMILES: CC(C)=O.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Pt+2].[Pt+2].c1cn[n-]c1.c1cn[n-]c1
• InChI: InChI=1S/2C9H5F3N3.2C3H3N2.C3H6O.2Pt/c2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*1-2-4-5-3-1;1-3(2)4;;/h2*1-5H;2*1-3H;1-2H3;;/q4*-1;;2*+2
• InChIKey: KTHYLVQDSHRKBO-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 150.81 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	1006.69
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of bis(platinum(2+));propan-2-one;bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?

The IUPAC name of bis(platinum(2+));propan-2-one;bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) (CID 139141460) is bis(platinum(2+));propan-2-one;bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine).

What is the SMILES notation for bis(platinum(2+));propan-2-one;bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?

The canonical SMILES for bis(platinum(2+));propan-2-one;bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) is CC(C)=O.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Pt+2].[Pt+2].c1cn[n-]c1.c1cn[n-]c1.

What is the InChIKey of bis(platinum(2+));propan-2-one;bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?

The InChIKey is KTHYLVQDSHRKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H5F3N3.2C3H3N2.C3H6O.2Pt/c2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*1-2-4-5-3-1;1-3(2)4;;/h2*1-5H;2*1-3H;1-2H3;;/q4*-1;;2*+2.

What are the key properties of bis(platinum(2+));propan-2-one;bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?

bis(platinum(2+));propan-2-one;bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) has a molecular weight of 1006.69 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for bis(platinum(2+));propan-2-one;bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) is sourced from PubChem (CID 139141460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).