2-benzo[c]phenanthren-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline

C52H35N — CID 167183794

About 2-benzo[c]phenanthren-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline

2-benzo[c]phenanthren-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline (PubChem CID 167183794) has the molecular formula C52H35N and a molecular weight of 673.86 g/mol. Its IUPAC name is 2-benzo[c]phenanthren-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: 2-benzo[c]phenanthren-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
• PubChem CID: 167183794
• Molecular Formula: C52H35N
• Molecular Weight: 673.86 g/mol
• Exact Mass: 673.28
• IUPAC Name: 2-benzo[c]phenanthren-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3-c3cccc4ccc5ccc6ccccc6c5c34)cc2)cc1
• InChI: InChI=1S/C52H35N/c1-2-12-36(13-3-1)37-28-32-43(33-29-37)53(44-34-30-40(31-35-44)46-21-10-16-38-14-4-6-18-45(38)46)50-23-9-8-20-48(50)49-22-11-17-41-26-27-42-25-24-39-15-5-7-19-47(39)51(42)52(41)49/h1-35H
• InChIKey: LTGCNDUPJIBSFJ-UHFFFAOYSA-N
• XLogP: 14.77
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	673.86
LogP ≤ 5	14.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-benzo[c]phenanthren-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline?

The IUPAC name of 2-benzo[c]phenanthren-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline (CID 167183794) is 2-benzo[c]phenanthren-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline.

What is the SMILES notation for 2-benzo[c]phenanthren-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline?

The canonical SMILES for 2-benzo[c]phenanthren-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3-c3cccc4ccc5ccc6ccccc6c5c34)cc2)cc1.

What is the InChIKey of 2-benzo[c]phenanthren-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline?

The InChIKey is LTGCNDUPJIBSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N/c1-2-12-36(13-3-1)37-28-32-43(33-29-37)53(44-34-30-40(31-35-44)46-21-10-16-38-14-4-6-18-45(38)46)50-23-9-8-20-48(50)49-22-11-17-41-26-27-42-25-24-39-15-5-7-19-47(39)51(42)52(41)49/h1-35H.

What are the key properties of 2-benzo[c]phenanthren-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline?

2-benzo[c]phenanthren-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline has a molecular weight of 673.86 g/mol, XLogP of 14.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzo[c]phenanthren-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 167183794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).