2-(phenoxy)-6-[2-(3-pyrazol-1-ylbenzene-2-id-1-yl)propan-2-yl]pyridine;platinum(2+)

C23H19N3OPt — CID 58709013

About 2-(phenoxy)-6-[2-(3-pyrazol-1-ylbenzene-2-id-1-yl)propan-2-yl]pyridine;platinum(2+)

2-(phenoxy)-6-[2-(3-pyrazol-1-ylbenzene-2-id-1-yl)propan-2-yl]pyridine;platinum(2+) (PubChem CID 58709013) has the molecular formula C23H19N3OPt and a molecular weight of 548.50 g/mol. Its IUPAC name is 2-(phenoxy)-6-[2-(3-pyrazol-1-ylbenzene-2-id-1-yl)propan-2-yl]pyridine;platinum(2+).

Molecular Properties

• Compound Name: 2-(phenoxy)-6-[2-(3-pyrazol-1-ylbenzene-2-id-1-yl)propan-2-yl]pyridine;platinum(2+)
• PubChem CID: 58709013
• Molecular Formula: C23H19N3OPt
• Molecular Weight: 548.50 g/mol
• Exact Mass: 548.12
• IUPAC Name: 2-(phenoxy)-6-[2-(3-pyrazol-1-ylbenzene-2-id-1-yl)propan-2-yl]pyridine;platinum(2+)
• SMILES: CC(C)(c1[c-]c(-n2cccn2)ccc1)c1cccc(Oc2[c-]cccc2)n1.[Pt+2]
• InChI: InChI=1S/C23H19N3O.Pt/c1-23(2,18-9-6-10-19(17-18)26-16-8-15-24-26)21-13-7-14-22(25-21)27-20-11-4-3-5-12-20;/h3-11,13-16H,1-2H3;/q-2;+2
• InChIKey: JBSQSTBACKNEKZ-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.50
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(phenoxy)-6-[2-(3-pyrazol-1-ylbenzene-2-id-1-yl)propan-2-yl]pyridine;platinum(2+)?

The IUPAC name of 2-(phenoxy)-6-[2-(3-pyrazol-1-ylbenzene-2-id-1-yl)propan-2-yl]pyridine;platinum(2+) (CID 58709013) is 2-(phenoxy)-6-[2-(3-pyrazol-1-ylbenzene-2-id-1-yl)propan-2-yl]pyridine;platinum(2+).

What is the SMILES notation for 2-(phenoxy)-6-[2-(3-pyrazol-1-ylbenzene-2-id-1-yl)propan-2-yl]pyridine;platinum(2+)?

The canonical SMILES for 2-(phenoxy)-6-[2-(3-pyrazol-1-ylbenzene-2-id-1-yl)propan-2-yl]pyridine;platinum(2+) is CC(C)(c1[c-]c(-n2cccn2)ccc1)c1cccc(Oc2[c-]cccc2)n1.[Pt+2].

What is the InChIKey of 2-(phenoxy)-6-[2-(3-pyrazol-1-ylbenzene-2-id-1-yl)propan-2-yl]pyridine;platinum(2+)?

The InChIKey is JBSQSTBACKNEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O.Pt/c1-23(2,18-9-6-10-19(17-18)26-16-8-15-24-26)21-13-7-14-22(25-21)27-20-11-4-3-5-12-20;/h3-11,13-16H,1-2H3;/q-2;+2.

What are the key properties of 2-(phenoxy)-6-[2-(3-pyrazol-1-ylbenzene-2-id-1-yl)propan-2-yl]pyridine;platinum(2+)?

2-(phenoxy)-6-[2-(3-pyrazol-1-ylbenzene-2-id-1-yl)propan-2-yl]pyridine;platinum(2+) has a molecular weight of 548.50 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(phenoxy)-6-[2-(3-pyrazol-1-ylbenzene-2-id-1-yl)propan-2-yl]pyridine;platinum(2+) is sourced from PubChem (CID 58709013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).