6-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-2,4-dinaphthalen-2-ylbenzo[h]quinoline

C56H38N2 — CID 121441241

About 6-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-2,4-dinaphthalen-2-ylbenzo[h]quinoline

6-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-2,4-dinaphthalen-2-ylbenzo[h]quinoline (PubChem CID 121441241) has the molecular formula C56H38N2 and a molecular weight of 738.93 g/mol. Its IUPAC name is 6-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-2,4-dinaphthalen-2-ylbenzo[h]quinoline.

Molecular Properties

• Compound Name: 6-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-2,4-dinaphthalen-2-ylbenzo[h]quinoline
• PubChem CID: 121441241
• Molecular Formula: C56H38N2
• Molecular Weight: 738.93 g/mol
• Exact Mass: 738.30
• IUPAC Name: 6-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-2,4-dinaphthalen-2-ylbenzo[h]quinoline
• SMILES: C1=C(c2ccc(-c3cc4c(-c5ccc6ccccc6c5)cc(-c5ccc6ccccc6c5)nc4c4ccccc34)cc2)C=C(c2ccccc2)NC1c1ccccc1
• InChI: InChI=1S/C56H38N2/c1-3-15-41(16-4-1)53-33-47(34-54(57-53)42-17-5-2-6-18-42)39-23-27-40(28-24-39)50-35-52-51(45-29-25-37-13-7-9-19-43(37)31-45)36-55(58-56(52)49-22-12-11-21-48(49)50)46-30-26-38-14-8-10-20-44(38)32-46/h1-36,53,57H
• InChIKey: UVXKHOUPUAHECY-UHFFFAOYSA-N
• XLogP: 14.46
• TPSA: 24.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	738.93
LogP ≤ 5	14.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

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-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-2,4-dinaphthalen-2-ylbenzo[h]quinoline?

The IUPAC name of 6-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-2,4-dinaphthalen-2-ylbenzo[h]quinoline (CID 121441241) is 6-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-2,4-dinaphthalen-2-ylbenzo[h]quinoline.

What is the SMILES notation for 6-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-2,4-dinaphthalen-2-ylbenzo[h]quinoline?

The canonical SMILES for 6-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-2,4-dinaphthalen-2-ylbenzo[h]quinoline is C1=C(c2ccc(-c3cc4c(-c5ccc6ccccc6c5)cc(-c5ccc6ccccc6c5)nc4c4ccccc34)cc2)C=C(c2ccccc2)NC1c1ccccc1.

What is the InChIKey of 6-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-2,4-dinaphthalen-2-ylbenzo[h]quinoline?

The InChIKey is UVXKHOUPUAHECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2/c1-3-15-41(16-4-1)53-33-47(34-54(57-53)42-17-5-2-6-18-42)39-23-27-40(28-24-39)50-35-52-51(45-29-25-37-13-7-9-19-43(37)31-45)36-55(58-56(52)49-22-12-11-21-48(49)50)46-30-26-38-14-8-10-20-44(38)32-46/h1-36,53,57H.

What are the key properties of 6-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-2,4-dinaphthalen-2-ylbenzo[h]quinoline?

6-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-2,4-dinaphthalen-2-ylbenzo[h]quinoline has a molecular weight of 738.93 g/mol, XLogP of 14.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-2,4-dinaphthalen-2-ylbenzo[h]quinoline is sourced from PubChem (CID 121441241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).