5-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)quinoline

C38H22N4O — CID 169278618

About 5-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)quinoline

5-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)quinoline (PubChem CID 169278618) has the molecular formula C38H22N4O and a molecular weight of 550.62 g/mol. Its IUPAC name is 5-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)quinoline.

Molecular Properties

• Compound Name: 5-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)quinoline
• PubChem CID: 169278618
• Molecular Formula: C38H22N4O
• Molecular Weight: 550.62 g/mol
• Exact Mass: 550.18
• IUPAC Name: 5-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)quinoline
• SMILES: c1ccc2c(c1)ccc1cccc(-c3nc(-c4cccc5ncccc45)nc(-c4cccc5c4oc4ccccc45)n3)c12
• InChI: InChI=1S/C38H22N4O/c1-2-11-25-23(9-1)20-21-24-10-5-15-30(34(24)25)37-40-36(29-14-7-18-32-26(29)17-8-22-39-32)41-38(42-37)31-16-6-13-28-27-12-3-4-19-33(27)43-35(28)31/h1-22H
• InChIKey: QGQBIUVKHNVGGY-UHFFFAOYSA-N
• XLogP: 9.63
• TPSA: 64.70 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.62
LogP ≤ 5	9.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)quinoline (CID 169278618) is 5-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)quinoline.

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

The canonical SMILES for 5-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)quinoline is c1ccc2c(c1)ccc1cccc(-c3nc(-c4cccc5ncccc45)nc(-c4cccc5c4oc4ccccc45)n3)c12.

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

The InChIKey is QGQBIUVKHNVGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4O/c1-2-11-25-23(9-1)20-21-24-10-5-15-30(34(24)25)37-40-36(29-14-7-18-32-26(29)17-8-22-39-32)41-38(42-37)31-16-6-13-28-27-12-3-4-19-33(27)43-35(28)31/h1-22H.

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

5-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)quinoline has a molecular weight of 550.62 g/mol, XLogP of 9.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)quinoline is sourced from PubChem (CID 169278618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).