4-tert-butyl-N-[4-tert-butyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-N-(3,5-ditert-butylphenyl)-6-(3-methyl-5H-pyrazol-5-id-1-yl)pyridin-2-amine;platinum(2+)

C40H48F3N7Pt — CID 58444863

About 4-tert-butyl-N-[4-tert-butyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-N-(3,5-ditert-butylphenyl)-6-(3-methyl-5H-pyrazol-5-id-1-yl)pyridin-2-amine;platinum(2+)

4-tert-butyl-N-[4-tert-butyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-N-(3,5-ditert-butylphenyl)-6-(3-methyl-5H-pyrazol-5-id-1-yl)pyridin-2-amine;platinum(2+) (PubChem CID 58444863) has the molecular formula C40H48F3N7Pt and a molecular weight of 878.94 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-tert-butyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-N-(3,5-ditert-butylphenyl)-6-(3-methyl-5H-pyrazol-5-id-1-yl)pyridin-2-amine;platinum(2+).

Molecular Properties

• Compound Name: 4-tert-butyl-N-[4-tert-butyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-N-(3,5-ditert-butylphenyl)-6-(3-methyl-5H-pyrazol-5-id-1-yl)pyridin-2-amine;platinum(2+)
• PubChem CID: 58444863
• Molecular Formula: C40H48F3N7Pt
• Molecular Weight: 878.94 g/mol
• Exact Mass: 878.36
• IUPAC Name: 4-tert-butyl-N-[4-tert-butyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-N-(3,5-ditert-butylphenyl)-6-(3-methyl-5H-pyrazol-5-id-1-yl)pyridin-2-amine;platinum(2+)
• SMILES: Cc1c[c-]n(-c2cc(C(C)(C)C)cc(N(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3cc(C(C)(C)C)cc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)n1.[Pt+2]
• InChI: InChI=1S/C40H48F3N7.Pt/c1-25-14-16-48(46-25)32-21-28(38(8,9)10)23-34(44-32)50(30-19-26(36(2,3)4)18-27(20-30)37(5,6)7)35-24-29(39(11,12)13)22-33(45-35)49-17-15-31(47-49)40(41,42)43;/h14-15,18-24H,1-13H3;/q-2;+2
• InChIKey: XNSDKDGWPHSVLV-UHFFFAOYSA-N
• XLogP: 10.43
• TPSA: 64.66 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	878.94
LogP ≤ 5	10.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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-N-[4-tert-butyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-N-(3,5-ditert-butylphenyl)-6-(3-methyl-5H-pyrazol-5-id-1-yl)pyridin-2-amine;platinum(2+)?

The IUPAC name of 4-tert-butyl-N-[4-tert-butyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-N-(3,5-ditert-butylphenyl)-6-(3-methyl-5H-pyrazol-5-id-1-yl)pyridin-2-amine;platinum(2+) (CID 58444863) is 4-tert-butyl-N-[4-tert-butyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-N-(3,5-ditert-butylphenyl)-6-(3-methyl-5H-pyrazol-5-id-1-yl)pyridin-2-amine;platinum(2+).

What is the SMILES notation for 4-tert-butyl-N-[4-tert-butyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-N-(3,5-ditert-butylphenyl)-6-(3-methyl-5H-pyrazol-5-id-1-yl)pyridin-2-amine;platinum(2+)?

The canonical SMILES for 4-tert-butyl-N-[4-tert-butyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-N-(3,5-ditert-butylphenyl)-6-(3-methyl-5H-pyrazol-5-id-1-yl)pyridin-2-amine;platinum(2+) is Cc1c[c-]n(-c2cc(C(C)(C)C)cc(N(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3cc(C(C)(C)C)cc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)n1.[Pt+2].

What is the InChIKey of 4-tert-butyl-N-[4-tert-butyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-N-(3,5-ditert-butylphenyl)-6-(3-methyl-5H-pyrazol-5-id-1-yl)pyridin-2-amine;platinum(2+)?

The InChIKey is XNSDKDGWPHSVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H48F3N7.Pt/c1-25-14-16-48(46-25)32-21-28(38(8,9)10)23-34(44-32)50(30-19-26(36(2,3)4)18-27(20-30)37(5,6)7)35-24-29(39(11,12)13)22-33(45-35)49-17-15-31(47-49)40(41,42)43;/h14-15,18-24H,1-13H3;/q-2;+2.

What are the key properties of 4-tert-butyl-N-[4-tert-butyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-N-(3,5-ditert-butylphenyl)-6-(3-methyl-5H-pyrazol-5-id-1-yl)pyridin-2-amine;platinum(2+)?

4-tert-butyl-N-[4-tert-butyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-N-(3,5-ditert-butylphenyl)-6-(3-methyl-5H-pyrazol-5-id-1-yl)pyridin-2-amine;platinum(2+) has a molecular weight of 878.94 g/mol, XLogP of 10.43, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-N-[4-tert-butyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-N-(3,5-ditert-butylphenyl)-6-(3-methyl-5H-pyrazol-5-id-1-yl)pyridin-2-amine;platinum(2+) is sourced from PubChem (CID 58444863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).