3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;platinum(2+);4-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine

C36H33F3N6Pt — CID 147381409

About 3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;platinum(2+);4-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine

3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;platinum(2+);4-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine (PubChem CID 147381409) has the molecular formula C36H33F3N6Pt and a molecular weight of 801.77 g/mol. Its IUPAC name is 3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;platinum(2+);4-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine.

Molecular Properties

• Compound Name: 3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;platinum(2+);4-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine
• PubChem CID: 147381409
• Molecular Formula: C36H33F3N6Pt
• Molecular Weight: 801.77 g/mol
• Exact Mass: 801.24
• IUPAC Name: 3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;platinum(2+);4-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine
• SMILES: Cc1cc(-c2cc(C(F)(F)F)n[n-]2)[n-]n1.Cc1cc(C)c(-c2ccnc(-c3cc(-c4c(C)cc(C)cc4C)ccn3)c2)c(C)c1.[Pt+2]
• InChI: InChI=1S/C28H28N2.C8H5F3N4.Pt/c1-17-11-19(3)27(20(4)12-17)23-7-9-29-25(15-23)26-16-24(8-10-30-26)28-21(5)13-18(2)14-22(28)6;1-4-2-5(13-12-4)6-3-7(15-14-6)8(9,10)11;/h7-16H,1-6H3;2-3H,1H3;/q;-2;+2
• InChIKey: DLAWTHBTZFFBRW-UHFFFAOYSA-N
• XLogP: 8.71
• TPSA: 79.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	801.77
LogP ≤ 5	8.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;platinum(2+);4-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine?

The IUPAC name of 3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;platinum(2+);4-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine (CID 147381409) is 3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;platinum(2+);4-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine.

What is the SMILES notation for 3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;platinum(2+);4-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine?

The canonical SMILES for 3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;platinum(2+);4-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine is Cc1cc(-c2cc(C(F)(F)F)n[n-]2)[n-]n1.Cc1cc(C)c(-c2ccnc(-c3cc(-c4c(C)cc(C)cc4C)ccn3)c2)c(C)c1.[Pt+2].

What is the InChIKey of 3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;platinum(2+);4-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine?

The InChIKey is DLAWTHBTZFFBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2.C8H5F3N4.Pt/c1-17-11-19(3)27(20(4)12-17)23-7-9-29-25(15-23)26-16-24(8-10-30-26)28-21(5)13-18(2)14-22(28)6;1-4-2-5(13-12-4)6-3-7(15-14-6)8(9,10)11;/h7-16H,1-6H3;2-3H,1H3;/q;-2;+2.

What are the key properties of 3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;platinum(2+);4-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine?

3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;platinum(2+);4-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine has a molecular weight of 801.77 g/mol, XLogP of 8.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;platinum(2+);4-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine is sourced from PubChem (CID 147381409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).