7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-naphthalen-2-yl-3-phenylbenzo[f]quinoline

C50H32N4 — CID 166569182

About 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-naphthalen-2-yl-3-phenylbenzo[f]quinoline

7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-naphthalen-2-yl-3-phenylbenzo[f]quinoline (PubChem CID 166569182) has the molecular formula C50H32N4 and a molecular weight of 688.83 g/mol. Its IUPAC name is 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-naphthalen-2-yl-3-phenylbenzo[f]quinoline.

Molecular Properties

• Compound Name: 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-naphthalen-2-yl-3-phenylbenzo[f]quinoline
• PubChem CID: 166569182
• Molecular Formula: C50H32N4
• Molecular Weight: 688.83 g/mol
• Exact Mass: 688.26
• IUPAC Name: 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-naphthalen-2-yl-3-phenylbenzo[f]quinoline
• SMILES: c1ccc(-c2cc(-c3ccc4ccccc4c3)c3c(ccc4c(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cccc43)n2)cc1
• InChI: InChI=1S/C50H32N4/c1-4-14-35(15-5-1)46-32-44(40-28-23-33-13-10-11-20-39(33)31-40)47-43-22-12-21-41(42(43)29-30-45(47)51-46)34-24-26-38(27-25-34)50-53-48(36-16-6-2-7-17-36)52-49(54-50)37-18-8-3-9-19-37/h1-32H
• InChIKey: DYJMZDSAZVQQLP-UHFFFAOYSA-N
• XLogP: 12.73
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	688.83
LogP ≤ 5	12.73
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 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-naphthalen-2-yl-3-phenylbenzo[f]quinoline?

The IUPAC name of 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-naphthalen-2-yl-3-phenylbenzo[f]quinoline (CID 166569182) is 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-naphthalen-2-yl-3-phenylbenzo[f]quinoline.

What is the SMILES notation for 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-naphthalen-2-yl-3-phenylbenzo[f]quinoline?

The canonical SMILES for 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-naphthalen-2-yl-3-phenylbenzo[f]quinoline is c1ccc(-c2cc(-c3ccc4ccccc4c3)c3c(ccc4c(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cccc43)n2)cc1.

What is the InChIKey of 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-naphthalen-2-yl-3-phenylbenzo[f]quinoline?

The InChIKey is DYJMZDSAZVQQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4/c1-4-14-35(15-5-1)46-32-44(40-28-23-33-13-10-11-20-39(33)31-40)47-43-22-12-21-41(42(43)29-30-45(47)51-46)34-24-26-38(27-25-34)50-53-48(36-16-6-2-7-17-36)52-49(54-50)37-18-8-3-9-19-37/h1-32H.

What are the key properties of 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-naphthalen-2-yl-3-phenylbenzo[f]quinoline?

7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-naphthalen-2-yl-3-phenylbenzo[f]quinoline has a molecular weight of 688.83 g/mol, XLogP of 12.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-naphthalen-2-yl-3-phenylbenzo[f]quinoline is sourced from PubChem (CID 166569182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).