2,6-dinaphthalen-1-yl-4-(4-phenanthridin-6-ylphenyl)benzo[h]quinoline

C52H32N2 — CID 70958772

About 2,6-dinaphthalen-1-yl-4-(4-phenanthridin-6-ylphenyl)benzo[h]quinoline

2,6-dinaphthalen-1-yl-4-(4-phenanthridin-6-ylphenyl)benzo[h]quinoline (PubChem CID 70958772) has the molecular formula C52H32N2 and a molecular weight of 684.84 g/mol. Its IUPAC name is 2,6-dinaphthalen-1-yl-4-(4-phenanthridin-6-ylphenyl)benzo[h]quinoline.

Molecular Properties

• Compound Name: 2,6-dinaphthalen-1-yl-4-(4-phenanthridin-6-ylphenyl)benzo[h]quinoline
• PubChem CID: 70958772
• Molecular Formula: C52H32N2
• Molecular Weight: 684.84 g/mol
• Exact Mass: 684.26
• IUPAC Name: 2,6-dinaphthalen-1-yl-4-(4-phenanthridin-6-ylphenyl)benzo[h]quinoline
• SMILES: c1ccc2c(-c3cc(-c4ccc(-c5nc6ccccc6c6ccccc56)cc4)c4cc(-c5cccc6ccccc56)c5ccccc5c4n3)cccc2c1
• InChI: InChI=1S/C52H32N2/c1-3-17-37-33(13-1)15-11-24-39(37)47-31-48-46(35-27-29-36(30-28-35)51-44-22-7-5-19-40(44)43-21-9-10-26-49(43)53-51)32-50(54-52(48)45-23-8-6-20-41(45)47)42-25-12-16-34-14-2-4-18-38(34)42/h1-32H
• InChIKey: CYORJPFKIUFUEE-UHFFFAOYSA-N
• XLogP: 14.06
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	684.84
LogP ≤ 5	14.06
H-Bond Donors ≤ 5	0
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 2,6-dinaphthalen-1-yl-4-(4-phenanthridin-6-ylphenyl)benzo[h]quinoline?

The IUPAC name of 2,6-dinaphthalen-1-yl-4-(4-phenanthridin-6-ylphenyl)benzo[h]quinoline (CID 70958772) is 2,6-dinaphthalen-1-yl-4-(4-phenanthridin-6-ylphenyl)benzo[h]quinoline.

What is the SMILES notation for 2,6-dinaphthalen-1-yl-4-(4-phenanthridin-6-ylphenyl)benzo[h]quinoline?

The canonical SMILES for 2,6-dinaphthalen-1-yl-4-(4-phenanthridin-6-ylphenyl)benzo[h]quinoline is c1ccc2c(-c3cc(-c4ccc(-c5nc6ccccc6c6ccccc56)cc4)c4cc(-c5cccc6ccccc56)c5ccccc5c4n3)cccc2c1.

What is the InChIKey of 2,6-dinaphthalen-1-yl-4-(4-phenanthridin-6-ylphenyl)benzo[h]quinoline?

The InChIKey is CYORJPFKIUFUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2/c1-3-17-37-33(13-1)15-11-24-39(37)47-31-48-46(35-27-29-36(30-28-35)51-44-22-7-5-19-40(44)43-21-9-10-26-49(43)53-51)32-50(54-52(48)45-23-8-6-20-41(45)47)42-25-12-16-34-14-2-4-18-38(34)42/h1-32H.

What are the key properties of 2,6-dinaphthalen-1-yl-4-(4-phenanthridin-6-ylphenyl)benzo[h]quinoline?

2,6-dinaphthalen-1-yl-4-(4-phenanthridin-6-ylphenyl)benzo[h]quinoline has a molecular weight of 684.84 g/mol, XLogP of 14.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dinaphthalen-1-yl-4-(4-phenanthridin-6-ylphenyl)benzo[h]quinoline is sourced from PubChem (CID 70958772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).