11-(4-naphtho[2,1-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-f]quinoline

C42H24N4O — CID 174297469

About 11-(4-naphtho[2,1-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-f]quinoline

11-(4-naphtho[2,1-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-f]quinoline (PubChem CID 174297469) has the molecular formula C42H24N4O and a molecular weight of 600.68 g/mol. Its IUPAC name is 11-(4-naphtho[2,1-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-f]quinoline.

Molecular Properties

• Compound Name: 11-(4-naphtho[2,1-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-f]quinoline
• PubChem CID: 174297469
• Molecular Formula: C42H24N4O
• Molecular Weight: 600.68 g/mol
• Exact Mass: 600.20
• IUPAC Name: 11-(4-naphtho[2,1-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-f]quinoline
• SMILES: c1ccc(-c2nc(-c3ccc4ccc5ccc6ncccc6c5c4c3)nc(-c3ccc4ccc5oc6ccccc6c5c4c3)n2)cc1
• InChI: InChI=1S/C42H24N4O/c1-2-7-28(8-3-1)40-44-41(29-16-13-25-12-15-27-18-20-35-31(10-6-22-43-35)38(27)33(25)23-29)46-42(45-40)30-17-14-26-19-21-37-39(34(26)24-30)32-9-4-5-11-36(32)47-37/h1-24H
• InChIKey: DGONVSSXZZPIKF-UHFFFAOYSA-N
• XLogP: 10.78
• TPSA: 64.70 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.68
LogP ≤ 5	10.78
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 11-(4-naphtho[2,1-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-f]quinoline?

The IUPAC name of 11-(4-naphtho[2,1-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-f]quinoline (CID 174297469) is 11-(4-naphtho[2,1-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-f]quinoline.

What is the SMILES notation for 11-(4-naphtho[2,1-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-f]quinoline?

The canonical SMILES for 11-(4-naphtho[2,1-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-f]quinoline is c1ccc(-c2nc(-c3ccc4ccc5ccc6ncccc6c5c4c3)nc(-c3ccc4ccc5oc6ccccc6c5c4c3)n2)cc1.

What is the InChIKey of 11-(4-naphtho[2,1-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-f]quinoline?

The InChIKey is DGONVSSXZZPIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N4O/c1-2-7-28(8-3-1)40-44-41(29-16-13-25-12-15-27-18-20-35-31(10-6-22-43-35)38(27)33(25)23-29)46-42(45-40)30-17-14-26-19-21-37-39(34(26)24-30)32-9-4-5-11-36(32)47-37/h1-24H.

What are the key properties of 11-(4-naphtho[2,1-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-f]quinoline?

11-(4-naphtho[2,1-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-f]quinoline has a molecular weight of 600.68 g/mol, XLogP of 10.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(4-naphtho[2,1-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-f]quinoline is sourced from PubChem (CID 174297469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).