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

C43H26N4O2Pt — CID 59816888

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

1-(3H-dibenzofuran-3-id-2-yl)-3-[[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]-diphenylmethyl]pyrazole;platinum(2+) (PubChem CID 59816888) has the molecular formula C43H26N4O2Pt and a molecular weight of 825.79 g/mol. Its IUPAC name is 1-(3H-dibenzofuran-3-id-2-yl)-3-[[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]-diphenylmethyl]pyrazole;platinum(2+).

Molecular Properties

• Compound Name: 1-(3H-dibenzofuran-3-id-2-yl)-3-[[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]-diphenylmethyl]pyrazole;platinum(2+)
• PubChem CID: 59816888
• Molecular Formula: C43H26N4O2Pt
• Molecular Weight: 825.79 g/mol
• Exact Mass: 825.17
• IUPAC Name: 1-(3H-dibenzofuran-3-id-2-yl)-3-[[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]-diphenylmethyl]pyrazole;platinum(2+)
• SMILES: [Pt+2].[c-]1cc2oc3ccccc3c2cc1-n1ccc(C(c2ccccc2)(c2ccccc2)c2ccn(-c3[c-]cc4oc5ccccc5c4c3)n2)n1
• InChI: InChI=1S/C43H26N4O2.Pt/c1-3-11-29(12-4-1)43(30-13-5-2-6-14-30,41-23-25-46(44-41)31-19-21-39-35(27-31)33-15-7-9-17-37(33)48-39)42-24-26-47(45-42)32-20-22-40-36(28-32)34-16-8-10-18-38(34)49-40;/h1-18,21-28H;/q-2;+2
• InChIKey: UURJIQKAURIPCX-UHFFFAOYSA-N
• XLogP: 9.84
• TPSA: 61.92 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	825.79
LogP ≤ 5	9.84
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-[[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]-diphenylmethyl]pyrazole;platinum(2+)?

The IUPAC name of 1-(3H-dibenzofuran-3-id-2-yl)-3-[[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]-diphenylmethyl]pyrazole;platinum(2+) (CID 59816888) is 1-(3H-dibenzofuran-3-id-2-yl)-3-[[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]-diphenylmethyl]pyrazole;platinum(2+).

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

The canonical SMILES for 1-(3H-dibenzofuran-3-id-2-yl)-3-[[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]-diphenylmethyl]pyrazole;platinum(2+) is [Pt+2].[c-]1cc2oc3ccccc3c2cc1-n1ccc(C(c2ccccc2)(c2ccccc2)c2ccn(-c3[c-]cc4oc5ccccc5c4c3)n2)n1.

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

The InChIKey is UURJIQKAURIPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4O2.Pt/c1-3-11-29(12-4-1)43(30-13-5-2-6-14-30,41-23-25-46(44-41)31-19-21-39-35(27-31)33-15-7-9-17-37(33)48-39)42-24-26-47(45-42)32-20-22-40-36(28-32)34-16-8-10-18-38(34)49-40;/h1-18,21-28H;/q-2;+2.

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

1-(3H-dibenzofuran-3-id-2-yl)-3-[[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]-diphenylmethyl]pyrazole;platinum(2+) has a molecular weight of 825.79 g/mol, XLogP of 9.84, 6 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-[[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]-diphenylmethyl]pyrazole;platinum(2+) is sourced from PubChem (CID 59816888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).