2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(2-phenylphenyl)-1,3,5-triazine

C41H25N3O — CID 169278868

About 2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(2-phenylphenyl)-1,3,5-triazine

2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(2-phenylphenyl)-1,3,5-triazine (PubChem CID 169278868) has the molecular formula C41H25N3O and a molecular weight of 575.67 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(2-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(2-phenylphenyl)-1,3,5-triazine
• PubChem CID: 169278868
• Molecular Formula: C41H25N3O
• Molecular Weight: 575.67 g/mol
• Exact Mass: 575.20
• IUPAC Name: 2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(2-phenylphenyl)-1,3,5-triazine
• SMILES: c1ccc(-c2ccccc2-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4ccc5ccccc5c34)n2)cc1
• InChI: InChI=1S/C41H25N3O/c1-2-12-26(13-3-1)29-16-6-7-19-33(29)39-42-40(34-21-10-15-28-25-24-27-14-4-5-17-30(27)37(28)34)44-41(43-39)35-22-11-20-32-31-18-8-9-23-36(31)45-38(32)35/h1-25H
• InChIKey: ZXVHBPSCPHMAGO-UHFFFAOYSA-N
• XLogP: 10.75
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.67
LogP ≤ 5	10.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(2-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(2-phenylphenyl)-1,3,5-triazine (CID 169278868) is 2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(2-phenylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(2-phenylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(2-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccccc2-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4ccc5ccccc5c34)n2)cc1.

What is the InChIKey of 2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(2-phenylphenyl)-1,3,5-triazine?

The InChIKey is ZXVHBPSCPHMAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3O/c1-2-12-26(13-3-1)29-16-6-7-19-33(29)39-42-40(34-21-10-15-28-25-24-27-14-4-5-17-30(27)37(28)34)44-41(43-39)35-22-11-20-32-31-18-8-9-23-36(31)45-38(32)35/h1-25H.

What are the key properties of 2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(2-phenylphenyl)-1,3,5-triazine?

2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(2-phenylphenyl)-1,3,5-triazine has a molecular weight of 575.67 g/mol, XLogP of 10.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(2-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 169278868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).