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

C52H32N2 — CID 70958804

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

4,6-dinaphthalen-2-yl-2-(4-phenanthridin-6-ylphenyl)benzo[h]quinoline (PubChem CID 70958804) has the molecular formula C52H32N2 and a molecular weight of 684.84 g/mol. Its IUPAC name is 4,6-dinaphthalen-2-yl-2-(4-phenanthridin-6-ylphenyl)benzo[h]quinoline.

Molecular Properties

• Compound Name: 4,6-dinaphthalen-2-yl-2-(4-phenanthridin-6-ylphenyl)benzo[h]quinoline
• PubChem CID: 70958804
• Molecular Formula: C52H32N2
• Molecular Weight: 684.84 g/mol
• Exact Mass: 684.26
• IUPAC Name: 4,6-dinaphthalen-2-yl-2-(4-phenanthridin-6-ylphenyl)benzo[h]quinoline
• SMILES: c1ccc2cc(-c3cc4c(-c5ccc6ccccc6c5)cc(-c5ccc(-c6nc7ccccc7c7ccccc67)cc5)nc4c4ccccc34)ccc2c1
• InChI: InChI=1S/C52H32N2/c1-3-13-37-29-39(27-21-33(37)11-1)46-31-48-47(40-28-22-34-12-2-4-14-38(34)30-40)32-50(54-52(48)45-19-8-6-16-42(45)46)35-23-25-36(26-24-35)51-44-18-7-5-15-41(44)43-17-9-10-20-49(43)53-51/h1-32H
• InChIKey: NVMVDNQTQFZLJE-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 4,6-dinaphthalen-2-yl-2-(4-phenanthridin-6-ylphenyl)benzo[h]quinoline?

The IUPAC name of 4,6-dinaphthalen-2-yl-2-(4-phenanthridin-6-ylphenyl)benzo[h]quinoline (CID 70958804) is 4,6-dinaphthalen-2-yl-2-(4-phenanthridin-6-ylphenyl)benzo[h]quinoline.

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

The canonical SMILES for 4,6-dinaphthalen-2-yl-2-(4-phenanthridin-6-ylphenyl)benzo[h]quinoline is c1ccc2cc(-c3cc4c(-c5ccc6ccccc6c5)cc(-c5ccc(-c6nc7ccccc7c7ccccc67)cc5)nc4c4ccccc34)ccc2c1.

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

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

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

4,6-dinaphthalen-2-yl-2-(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 4,6-dinaphthalen-2-yl-2-(4-phenanthridin-6-ylphenyl)benzo[h]quinoline is sourced from PubChem (CID 70958804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).