2-(3H-dibenzofuran-3-id-4-yl)-6-[3-[6-(3H-dibenzofuran-3-id-4-yl)-2-pyridinyl]phenyl]pyridine;platinum(2+)

C40H22N2O2Pt — CID 159576049

About 2-(3H-dibenzofuran-3-id-4-yl)-6-[3-[6-(3H-dibenzofuran-3-id-4-yl)-2-pyridinyl]phenyl]pyridine;platinum(2+)

2-(3H-dibenzofuran-3-id-4-yl)-6-[3-[6-(3H-dibenzofuran-3-id-4-yl)-2-pyridinyl]phenyl]pyridine;platinum(2+) (PubChem CID 159576049) has the molecular formula C40H22N2O2Pt and a molecular weight of 757.71 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-6-[3-[6-(3H-dibenzofuran-3-id-4-yl)-2-pyridinyl]phenyl]pyridine;platinum(2+).

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-4-yl)-6-[3-[6-(3H-dibenzofuran-3-id-4-yl)-2-pyridinyl]phenyl]pyridine;platinum(2+)
• PubChem CID: 159576049
• Molecular Formula: C40H22N2O2Pt
• Molecular Weight: 757.71 g/mol
• Exact Mass: 757.13
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)-6-[3-[6-(3H-dibenzofuran-3-id-4-yl)-2-pyridinyl]phenyl]pyridine;platinum(2+)
• SMILES: [Pt+2].[c-]1ccc2c(oc3ccccc32)c1-c1cccc(-c2cccc(-c3cccc(-c4[c-]ccc5c4oc4ccccc45)n3)c2)n1
• InChI: InChI=1S/C40H22N2O2.Pt/c1-3-22-37-27(12-1)29-14-6-16-31(39(29)43-37)35-20-8-18-33(41-35)25-10-5-11-26(24-25)34-19-9-21-36(42-34)32-17-7-15-30-28-13-2-4-23-38(28)44-40(30)32;/h1-15,18-24H;/q-2;+2
• InChIKey: KYWHKQOIAHHZMT-UHFFFAOYSA-N
• XLogP: 10.54
• TPSA: 52.06 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	757.71
LogP ≤ 5	10.54
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)-6-[3-[6-(3H-dibenzofuran-3-id-4-yl)-2-pyridinyl]phenyl]pyridine;platinum(2+)?

The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-6-[3-[6-(3H-dibenzofuran-3-id-4-yl)-2-pyridinyl]phenyl]pyridine;platinum(2+) (CID 159576049) is 2-(3H-dibenzofuran-3-id-4-yl)-6-[3-[6-(3H-dibenzofuran-3-id-4-yl)-2-pyridinyl]phenyl]pyridine;platinum(2+).

What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-6-[3-[6-(3H-dibenzofuran-3-id-4-yl)-2-pyridinyl]phenyl]pyridine;platinum(2+)?

The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-6-[3-[6-(3H-dibenzofuran-3-id-4-yl)-2-pyridinyl]phenyl]pyridine;platinum(2+) is [Pt+2].[c-]1ccc2c(oc3ccccc32)c1-c1cccc(-c2cccc(-c3cccc(-c4[c-]ccc5c4oc4ccccc45)n3)c2)n1.

What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-6-[3-[6-(3H-dibenzofuran-3-id-4-yl)-2-pyridinyl]phenyl]pyridine;platinum(2+)?

The InChIKey is KYWHKQOIAHHZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22N2O2.Pt/c1-3-22-37-27(12-1)29-14-6-16-31(39(29)43-37)35-20-8-18-33(41-35)25-10-5-11-26(24-25)34-19-9-21-36(42-34)32-17-7-15-30-28-13-2-4-23-38(28)44-40(30)32;/h1-15,18-24H;/q-2;+2.

What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-6-[3-[6-(3H-dibenzofuran-3-id-4-yl)-2-pyridinyl]phenyl]pyridine;platinum(2+)?

2-(3H-dibenzofuran-3-id-4-yl)-6-[3-[6-(3H-dibenzofuran-3-id-4-yl)-2-pyridinyl]phenyl]pyridine;platinum(2+) has a molecular weight of 757.71 g/mol, XLogP of 10.54, 4 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)-6-[3-[6-(3H-dibenzofuran-3-id-4-yl)-2-pyridinyl]phenyl]pyridine;platinum(2+) is sourced from PubChem (CID 159576049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).