2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-1-triphenylen-2-ylfuro[2,3-c]quinoline

C56H34N4O — CID 164716960

About 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-1-triphenylen-2-ylfuro[2,3-c]quinoline

2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-1-triphenylen-2-ylfuro[2,3-c]quinoline (PubChem CID 164716960) has the molecular formula C56H34N4O and a molecular weight of 778.92 g/mol. Its IUPAC name is 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-1-triphenylen-2-ylfuro[2,3-c]quinoline.

Molecular Properties

• Compound Name: 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-1-triphenylen-2-ylfuro[2,3-c]quinoline
• PubChem CID: 164716960
• Molecular Formula: C56H34N4O
• Molecular Weight: 778.92 g/mol
• Exact Mass: 778.27
• IUPAC Name: 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-1-triphenylen-2-ylfuro[2,3-c]quinoline
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4oc5c(-c6ccccc6)nc6ccccc6c5c4-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)n2)cc1
• InChI: InChI=1S/C56H34N4O/c1-4-16-35(17-5-1)51-53-50(46-26-14-15-27-48(46)57-51)49(40-32-33-45-43-24-11-10-22-41(43)42-23-12-13-25-44(42)47(45)34-40)52(61-53)36-28-30-39(31-29-36)56-59-54(37-18-6-2-7-19-37)58-55(60-56)38-20-8-3-9-21-38/h1-34H
• InChIKey: GATGKMSZLRZZMP-UHFFFAOYSA-N
• XLogP: 14.63
• TPSA: 64.70 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	778.92
LogP ≤ 5	14.63
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 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-1-triphenylen-2-ylfuro[2,3-c]quinoline?

The IUPAC name of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-1-triphenylen-2-ylfuro[2,3-c]quinoline (CID 164716960) is 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-1-triphenylen-2-ylfuro[2,3-c]quinoline.

What is the SMILES notation for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-1-triphenylen-2-ylfuro[2,3-c]quinoline?

The canonical SMILES for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-1-triphenylen-2-ylfuro[2,3-c]quinoline is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4oc5c(-c6ccccc6)nc6ccccc6c5c4-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)n2)cc1.

What is the InChIKey of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-1-triphenylen-2-ylfuro[2,3-c]quinoline?

The InChIKey is GATGKMSZLRZZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4O/c1-4-16-35(17-5-1)51-53-50(46-26-14-15-27-48(46)57-51)49(40-32-33-45-43-24-11-10-22-41(43)42-23-12-13-25-44(42)47(45)34-40)52(61-53)36-28-30-39(31-29-36)56-59-54(37-18-6-2-7-19-37)58-55(60-56)38-20-8-3-9-21-38/h1-34H.

What are the key properties of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-1-triphenylen-2-ylfuro[2,3-c]quinoline?

2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-1-triphenylen-2-ylfuro[2,3-c]quinoline has a molecular weight of 778.92 g/mol, XLogP of 14.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-1-triphenylen-2-ylfuro[2,3-c]quinoline is sourced from PubChem (CID 164716960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).