9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[h]quinoline

C40H24N4O — CID 154949584

About 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[h]quinoline

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[h]quinoline (PubChem CID 154949584) has the molecular formula C40H24N4O and a molecular weight of 576.66 g/mol. Its IUPAC name is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[h]quinoline.

Molecular Properties

• Compound Name: 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[h]quinoline
• PubChem CID: 154949584
• Molecular Formula: C40H24N4O
• Molecular Weight: 576.66 g/mol
• Exact Mass: 576.20
• IUPAC Name: 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[h]quinoline
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5ccc6cccnc6c5c4)cc4c3oc3ccccc34)n2)cc1
• InChI: InChI=1S/C40H24N4O/c1-3-10-27(11-4-1)38-42-39(28-12-5-2-6-13-28)44-40(43-38)34-24-30(23-33-31-15-7-8-16-35(31)45-37(33)34)29-20-18-25-17-19-26-14-9-21-41-36(26)32(25)22-29/h1-24H
• InChIKey: PMEWDGPABUMFHM-UHFFFAOYSA-N
• XLogP: 10.14
• TPSA: 64.70 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.66
LogP ≤ 5	10.14
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 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[h]quinoline?

The IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[h]quinoline (CID 154949584) is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[h]quinoline.

What is the SMILES notation for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[h]quinoline?

The canonical SMILES for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[h]quinoline is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5ccc6cccnc6c5c4)cc4c3oc3ccccc34)n2)cc1.

What is the InChIKey of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[h]quinoline?

The InChIKey is PMEWDGPABUMFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4O/c1-3-10-27(11-4-1)38-42-39(28-12-5-2-6-13-28)44-40(43-38)34-24-30(23-33-31-15-7-8-16-35(31)45-37(33)34)29-20-18-25-17-19-26-14-9-21-41-36(26)32(25)22-29/h1-24H.

What are the key properties of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[h]quinoline?

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[h]quinoline has a molecular weight of 576.66 g/mol, XLogP of 10.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[h]quinoline is sourced from PubChem (CID 154949584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).