4-tert-butyl-2-[2-[4-tert-butyl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+)

C31H31F5N4Pt — CID 59646064

About 4-tert-butyl-2-[2-[4-tert-butyl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+)

4-tert-butyl-2-[2-[4-tert-butyl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+) (PubChem CID 59646064) has the molecular formula C31H31F5N4Pt and a molecular weight of 749.68 g/mol. Its IUPAC name is 4-tert-butyl-2-[2-[4-tert-butyl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+).

Molecular Properties

• Compound Name: 4-tert-butyl-2-[2-[4-tert-butyl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+)
• PubChem CID: 59646064
• Molecular Formula: C31H31F5N4Pt
• Molecular Weight: 749.68 g/mol
• Exact Mass: 749.21
• IUPAC Name: 4-tert-butyl-2-[2-[4-tert-butyl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+)
• SMILES: CC(C)(C)c1cc(-c2cc(C(F)(F)F)n[n-]2)nc(C(C)(C)c2cc(C(C)(C)C)cc(-c3[c-]cc(F)cc3F)n2)c1.[Pt+2]
• InChI: InChI=1S/C31H31F5N4.Pt/c1-28(2,3)17-11-22(20-10-9-19(32)15-21(20)33)37-25(13-17)30(7,8)26-14-18(29(4,5)6)12-23(38-26)24-16-27(40-39-24)31(34,35)36;/h9,11-16H,1-8H3;/q-2;+2
• InChIKey: HMZHKLZVKDHZAH-UHFFFAOYSA-N
• XLogP: 8.18
• TPSA: 52.77 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	749.68
LogP ≤ 5	8.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 4-tert-butyl-2-[2-[4-tert-butyl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+) (CID 59646064) is 4-tert-butyl-2-[2-[4-tert-butyl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+).

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

The canonical SMILES for 4-tert-butyl-2-[2-[4-tert-butyl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+) is CC(C)(C)c1cc(-c2cc(C(F)(F)F)n[n-]2)nc(C(C)(C)c2cc(C(C)(C)C)cc(-c3[c-]cc(F)cc3F)n2)c1.[Pt+2].

What is the InChIKey of 4-tert-butyl-2-[2-[4-tert-butyl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+)?

The InChIKey is HMZHKLZVKDHZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31F5N4.Pt/c1-28(2,3)17-11-22(20-10-9-19(32)15-21(20)33)37-25(13-17)30(7,8)26-14-18(29(4,5)6)12-23(38-26)24-16-27(40-39-24)31(34,35)36;/h9,11-16H,1-8H3;/q-2;+2.

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

4-tert-butyl-2-[2-[4-tert-butyl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+) has a molecular weight of 749.68 g/mol, XLogP of 8.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[2-[4-tert-butyl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+) is sourced from PubChem (CID 59646064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).