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

C39H48N6Pt — CID 59357075

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

2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-(3,5-ditert-butylphenyl)methyl]pyridine;platinum(2+) (PubChem CID 59357075) has the molecular formula C39H48N6Pt and a molecular weight of 795.93 g/mol. Its IUPAC name is 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-(3,5-ditert-butylphenyl)methyl]pyridine;platinum(2+).

Molecular Properties

• Compound Name: 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-(3,5-ditert-butylphenyl)methyl]pyridine;platinum(2+)
• PubChem CID: 59357075
• Molecular Formula: C39H48N6Pt
• Molecular Weight: 795.93 g/mol
• Exact Mass: 795.36
• IUPAC Name: 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-(3,5-ditert-butylphenyl)methyl]pyridine;platinum(2+)
• SMILES: CC(C)(C)c1cc(C(c2cccc(-n3[c-]cc(C(C)(C)C)n3)n2)c2cccc(-n3[c-]cc(C(C)(C)C)n3)n2)cc(C(C)(C)C)c1.[Pt+2]
• InChI: InChI=1S/C39H48N6.Pt/c1-36(2,3)27-23-26(24-28(25-27)37(4,5)6)35(29-15-13-17-33(40-29)44-21-19-31(42-44)38(7,8)9)30-16-14-18-34(41-30)45-22-20-32(43-45)39(10,11)12;/h13-20,23-25,35H,1-12H3;/q-2;+2
• InChIKey: HGNVMGIQAQJZPT-UHFFFAOYSA-N
• XLogP: 8.82
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.93
LogP ≤ 5	8.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-(3,5-ditert-butylphenyl)methyl]pyridine;platinum(2+)?

The IUPAC name of 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-(3,5-ditert-butylphenyl)methyl]pyridine;platinum(2+) (CID 59357075) is 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-(3,5-ditert-butylphenyl)methyl]pyridine;platinum(2+).

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

The canonical SMILES for 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-(3,5-ditert-butylphenyl)methyl]pyridine;platinum(2+) is CC(C)(C)c1cc(C(c2cccc(-n3[c-]cc(C(C)(C)C)n3)n2)c2cccc(-n3[c-]cc(C(C)(C)C)n3)n2)cc(C(C)(C)C)c1.[Pt+2].

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

The InChIKey is HGNVMGIQAQJZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H48N6.Pt/c1-36(2,3)27-23-26(24-28(25-27)37(4,5)6)35(29-15-13-17-33(40-29)44-21-19-31(42-44)38(7,8)9)30-16-14-18-34(41-30)45-22-20-32(43-45)39(10,11)12;/h13-20,23-25,35H,1-12H3;/q-2;+2.

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

2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-(3,5-ditert-butylphenyl)methyl]pyridine;platinum(2+) has a molecular weight of 795.93 g/mol, XLogP of 8.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-(3,5-ditert-butylphenyl)methyl]pyridine;platinum(2+) is sourced from PubChem (CID 59357075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).