1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;platinum(2+)

C33H22N4O2Pt — CID 59816897

About 1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;platinum(2+)

1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;platinum(2+) (PubChem CID 59816897) has the molecular formula C33H22N4O2Pt and a molecular weight of 701.64 g/mol. Its IUPAC name is 1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;platinum(2+).

Molecular Properties

• Compound Name: 1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;platinum(2+)
• PubChem CID: 59816897
• Molecular Formula: C33H22N4O2Pt
• Molecular Weight: 701.64 g/mol
• Exact Mass: 701.14
• IUPAC Name: 1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;platinum(2+)
• SMILES: CC(C)(c1ccn(-c2[c-]cc3oc4ccccc4c3c2)n1)c1ccn(-c2[c-]cc3oc4ccccc4c3c2)n1.[Pt+2]
• InChI: InChI=1S/C33H22N4O2.Pt/c1-33(2,31-15-17-36(34-31)21-11-13-29-25(19-21)23-7-3-5-9-27(23)38-29)32-16-18-37(35-32)22-12-14-30-26(20-22)24-8-4-6-10-28(24)39-30;/h3-10,13-20H,1-2H3;/q-2;+2
• InChIKey: FSPULILTNUDSCB-UHFFFAOYSA-N
• XLogP: 7.78
• TPSA: 61.92 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	701.64
LogP ≤ 5	7.78
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 1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;platinum(2+)?

The IUPAC name of 1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;platinum(2+) (CID 59816897) is 1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;platinum(2+).

What is the SMILES notation for 1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;platinum(2+)?

The canonical SMILES for 1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;platinum(2+) is CC(C)(c1ccn(-c2[c-]cc3oc4ccccc4c3c2)n1)c1ccn(-c2[c-]cc3oc4ccccc4c3c2)n1.[Pt+2].

What is the InChIKey of 1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;platinum(2+)?

The InChIKey is FSPULILTNUDSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N4O2.Pt/c1-33(2,31-15-17-36(34-31)21-11-13-29-25(19-21)23-7-3-5-9-27(23)38-29)32-16-18-37(35-32)22-12-14-30-26(20-22)24-8-4-6-10-28(24)39-30;/h3-10,13-20H,1-2H3;/q-2;+2.

What are the key properties of 1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;platinum(2+)?

1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;platinum(2+) has a molecular weight of 701.64 g/mol, XLogP of 7.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;platinum(2+) is sourced from PubChem (CID 59816897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).