2-(3H-dibenzofuran-3-id-4-yl)-5-propan-2-ylpyridine;platinum(2+);2-pyrazol-2-id-3-ylpyridine

C28H22N4OPt — CID 176637504

About 2-(3H-dibenzofuran-3-id-4-yl)-5-propan-2-ylpyridine;platinum(2+);2-pyrazol-2-id-3-ylpyridine

2-(3H-dibenzofuran-3-id-4-yl)-5-propan-2-ylpyridine;platinum(2+);2-pyrazol-2-id-3-ylpyridine (PubChem CID 176637504) has the molecular formula C28H22N4OPt and a molecular weight of 625.59 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-5-propan-2-ylpyridine;platinum(2+);2-pyrazol-2-id-3-ylpyridine.

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-4-yl)-5-propan-2-ylpyridine;platinum(2+);2-pyrazol-2-id-3-ylpyridine
• PubChem CID: 176637504
• Molecular Formula: C28H22N4OPt
• Molecular Weight: 625.59 g/mol
• Exact Mass: 625.14
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)-5-propan-2-ylpyridine;platinum(2+);2-pyrazol-2-id-3-ylpyridine
• SMILES: CC(C)c1ccc(-c2[c-]ccc3c2oc2ccccc23)nc1.[Pt+2].c1ccc(-c2ccn[n-]2)nc1
• InChI: InChI=1S/C20H16NO.C8H6N3.Pt/c1-13(2)14-10-11-18(21-12-14)17-8-5-7-16-15-6-3-4-9-19(15)22-20(16)17;1-2-5-9-7(3-1)8-4-6-10-11-8;/h3-7,9-13H,1-2H3;1-6H;/q2*-1;+2
• InChIKey: JNYYASCOITVJQQ-UHFFFAOYSA-N
• XLogP: 6.67
• TPSA: 65.91 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.59
LogP ≤ 5	6.67
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-(3H-dibenzofuran-3-id-4-yl)-5-propan-2-ylpyridine;platinum(2+);2-pyrazol-2-id-3-ylpyridine?

The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-5-propan-2-ylpyridine;platinum(2+);2-pyrazol-2-id-3-ylpyridine (CID 176637504) is 2-(3H-dibenzofuran-3-id-4-yl)-5-propan-2-ylpyridine;platinum(2+);2-pyrazol-2-id-3-ylpyridine.

What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-5-propan-2-ylpyridine;platinum(2+);2-pyrazol-2-id-3-ylpyridine?

The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-5-propan-2-ylpyridine;platinum(2+);2-pyrazol-2-id-3-ylpyridine is CC(C)c1ccc(-c2[c-]ccc3c2oc2ccccc23)nc1.[Pt+2].c1ccc(-c2ccn[n-]2)nc1.

What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-5-propan-2-ylpyridine;platinum(2+);2-pyrazol-2-id-3-ylpyridine?

The InChIKey is JNYYASCOITVJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16NO.C8H6N3.Pt/c1-13(2)14-10-11-18(21-12-14)17-8-5-7-16-15-6-3-4-9-19(15)22-20(16)17;1-2-5-9-7(3-1)8-4-6-10-11-8;/h3-7,9-13H,1-2H3;1-6H;/q2*-1;+2.

What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-5-propan-2-ylpyridine;platinum(2+);2-pyrazol-2-id-3-ylpyridine?

2-(3H-dibenzofuran-3-id-4-yl)-5-propan-2-ylpyridine;platinum(2+);2-pyrazol-2-id-3-ylpyridine has a molecular weight of 625.59 g/mol, XLogP of 6.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-dibenzofuran-3-id-4-yl)-5-propan-2-ylpyridine;platinum(2+);2-pyrazol-2-id-3-ylpyridine is sourced from PubChem (CID 176637504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).