6-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline

C33H19N3O — CID 129085825

About 6-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline

6-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline (PubChem CID 129085825) has the molecular formula C33H19N3O and a molecular weight of 473.54 g/mol. Its IUPAC name is 6-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline.

Molecular Properties

• Compound Name: 6-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline
• PubChem CID: 129085825
• Molecular Formula: C33H19N3O
• Molecular Weight: 473.54 g/mol
• Exact Mass: 473.15
• IUPAC Name: 6-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline
• SMILES: c1cnc2c(c1)ccc1ccc(-c3ccc(-c4nc5ccccc5c5oc6ccccc6c45)cc3)nc12
• InChI: InChI=1S/C33H19N3O/c1-3-9-27-24(7-1)33-29(25-8-2-4-10-28(25)37-33)30(36-27)22-13-11-20(12-14-22)26-18-17-23-16-15-21-6-5-19-34-31(21)32(23)35-26/h1-19H
• InChIKey: ZRWWSLUEFAVLQI-UHFFFAOYSA-N
• XLogP: 8.56
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.54
LogP ≤ 5	8.56
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 6-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline?

The IUPAC name of 6-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline (CID 129085825) is 6-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline.

What is the SMILES notation for 6-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline?

The canonical SMILES for 6-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline is c1cnc2c(c1)ccc1ccc(-c3ccc(-c4nc5ccccc5c5oc6ccccc6c45)cc3)nc12.

What is the InChIKey of 6-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline?

The InChIKey is ZRWWSLUEFAVLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H19N3O/c1-3-9-27-24(7-1)33-29(25-8-2-4-10-28(25)37-33)30(36-27)22-13-11-20(12-14-22)26-18-17-23-16-15-21-6-5-19-34-31(21)32(23)35-26/h1-19H.

What are the key properties of 6-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline?

6-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline has a molecular weight of 473.54 g/mol, XLogP of 8.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline is sourced from PubChem (CID 129085825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).