3-(4-tert-butylbenzene-6-id-1-yl)-6-methoxypyridazine;2-(3-phenylpyrazol-1-id-5-yl)pyridine;platinum(2+)

C29H27N5OPt — CID 168793706

About 3-(4-tert-butylbenzene-6-id-1-yl)-6-methoxypyridazine;2-(3-phenylpyrazol-1-id-5-yl)pyridine;platinum(2+)

3-(4-tert-butylbenzene-6-id-1-yl)-6-methoxypyridazine;2-(3-phenylpyrazol-1-id-5-yl)pyridine;platinum(2+) (PubChem CID 168793706) has the molecular formula C29H27N5OPt and a molecular weight of 656.65 g/mol. Its IUPAC name is 3-(4-tert-butylbenzene-6-id-1-yl)-6-methoxypyridazine;2-(3-phenylpyrazol-1-id-5-yl)pyridine;platinum(2+).

Molecular Properties

• Compound Name: 3-(4-tert-butylbenzene-6-id-1-yl)-6-methoxypyridazine;2-(3-phenylpyrazol-1-id-5-yl)pyridine;platinum(2+)
• PubChem CID: 168793706
• Molecular Formula: C29H27N5OPt
• Molecular Weight: 656.65 g/mol
• Exact Mass: 656.19
• IUPAC Name: 3-(4-tert-butylbenzene-6-id-1-yl)-6-methoxypyridazine;2-(3-phenylpyrazol-1-id-5-yl)pyridine;platinum(2+)
• SMILES: COc1ccc(-c2[c-]cc(C(C)(C)C)cc2)nn1.[Pt+2].c1ccc(-c2cc(-c3ccccn3)[n-]n2)cc1
• InChI: InChI=1S/C15H17N2O.C14H10N3.Pt/c1-15(2,3)12-7-5-11(6-8-12)13-9-10-14(18-4)17-16-13;1-2-6-11(7-3-1)13-10-14(17-16-13)12-8-4-5-9-15-12;/h5,7-10H,1-4H3;1-10H;/q2*-1;+2
• InChIKey: SCNDTZHSWPCTDF-UHFFFAOYSA-N
• XLogP: 6.02
• TPSA: 74.89 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	656.65
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylbenzene-6-id-1-yl)-6-methoxypyridazine;2-(3-phenylpyrazol-1-id-5-yl)pyridine;platinum(2+)?

The IUPAC name of 3-(4-tert-butylbenzene-6-id-1-yl)-6-methoxypyridazine;2-(3-phenylpyrazol-1-id-5-yl)pyridine;platinum(2+) (CID 168793706) is 3-(4-tert-butylbenzene-6-id-1-yl)-6-methoxypyridazine;2-(3-phenylpyrazol-1-id-5-yl)pyridine;platinum(2+).

What is the SMILES notation for 3-(4-tert-butylbenzene-6-id-1-yl)-6-methoxypyridazine;2-(3-phenylpyrazol-1-id-5-yl)pyridine;platinum(2+)?

The canonical SMILES for 3-(4-tert-butylbenzene-6-id-1-yl)-6-methoxypyridazine;2-(3-phenylpyrazol-1-id-5-yl)pyridine;platinum(2+) is COc1ccc(-c2[c-]cc(C(C)(C)C)cc2)nn1.[Pt+2].c1ccc(-c2cc(-c3ccccn3)[n-]n2)cc1.

What is the InChIKey of 3-(4-tert-butylbenzene-6-id-1-yl)-6-methoxypyridazine;2-(3-phenylpyrazol-1-id-5-yl)pyridine;platinum(2+)?

The InChIKey is SCNDTZHSWPCTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N2O.C14H10N3.Pt/c1-15(2,3)12-7-5-11(6-8-12)13-9-10-14(18-4)17-16-13;1-2-6-11(7-3-1)13-10-14(17-16-13)12-8-4-5-9-15-12;/h5,7-10H,1-4H3;1-10H;/q2*-1;+2.

What are the key properties of 3-(4-tert-butylbenzene-6-id-1-yl)-6-methoxypyridazine;2-(3-phenylpyrazol-1-id-5-yl)pyridine;platinum(2+)?

3-(4-tert-butylbenzene-6-id-1-yl)-6-methoxypyridazine;2-(3-phenylpyrazol-1-id-5-yl)pyridine;platinum(2+) has a molecular weight of 656.65 g/mol, XLogP of 6.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-tert-butylbenzene-6-id-1-yl)-6-methoxypyridazine;2-(3-phenylpyrazol-1-id-5-yl)pyridine;platinum(2+) is sourced from PubChem (CID 168793706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).