10-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline

C52H30N4O2 — CID 153466285

About 10-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline

10-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline (PubChem CID 153466285) has the molecular formula C52H30N4O2 and a molecular weight of 742.84 g/mol. Its IUPAC name is 10-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline.

Molecular Properties

• Compound Name: 10-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline
• PubChem CID: 153466285
• Molecular Formula: C52H30N4O2
• Molecular Weight: 742.84 g/mol
• Exact Mass: 742.24
• IUPAC Name: 10-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline
• SMILES: c1ccc(-c2nc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)nc(-c3c4ccccc4cc4cccnc34)n2)cc1
• InChI: InChI=1S/C52H30N4O2/c1-2-13-31(14-3-1)50-54-51(56-52(55-50)46-37-17-5-4-15-32(37)27-33-16-12-26-53-47(33)46)36-29-34(38-20-10-22-42-40-18-6-8-24-44(40)57-48(38)42)28-35(30-36)39-21-11-23-43-41-19-7-9-25-45(41)58-49(39)43/h1-30H
• InChIKey: LZWXBNYUSKMOJG-UHFFFAOYSA-N
• XLogP: 13.71
• TPSA: 77.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	742.84
LogP ≤ 5	13.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline?

The IUPAC name of 10-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline (CID 153466285) is 10-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline.

What is the SMILES notation for 10-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline?

The canonical SMILES for 10-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline is c1ccc(-c2nc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)nc(-c3c4ccccc4cc4cccnc34)n2)cc1.

What is the InChIKey of 10-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline?

The InChIKey is LZWXBNYUSKMOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4O2/c1-2-13-31(14-3-1)50-54-51(56-52(55-50)46-37-17-5-4-15-32(37)27-33-16-12-26-53-47(33)46)36-29-34(38-20-10-22-42-40-18-6-8-24-44(40)57-48(38)42)28-35(30-36)39-21-11-23-43-41-19-7-9-25-45(41)58-49(39)43/h1-30H.

What are the key properties of 10-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline?

10-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline has a molecular weight of 742.84 g/mol, XLogP of 13.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline is sourced from PubChem (CID 153466285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).