3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline

C60H41N — CID 172526926

About 3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline

3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline (PubChem CID 172526926) has the molecular formula C60H41N and a molecular weight of 776.00 g/mol. Its IUPAC name is 3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline.

Molecular Properties

• Compound Name: 3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
• PubChem CID: 172526926
• Molecular Formula: C60H41N
• Molecular Weight: 776.00 g/mol
• Exact Mass: 775.32
• IUPAC Name: 3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
• SMILES: c1ccc(-c2c(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4cccc(-c5cccc6ccccc56)c4)cc3)ccc3ccccc23)cc1
• InChI: InChI=1S/C60H41N/c1-2-16-49(17-3-1)60-58-24-9-6-15-46(58)35-40-59(60)48-33-38-52(39-34-48)61(53-21-10-20-50(41-53)57-26-12-19-45-14-5-8-23-55(45)57)51-36-31-43(32-37-51)42-27-29-47(30-28-42)56-25-11-18-44-13-4-7-22-54(44)56/h1-41H
• InChIKey: FIACTRYQUIFDDZ-UHFFFAOYSA-N
• XLogP: 16.95
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	776.00
LogP ≤ 5	16.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline?

The IUPAC name of 3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline (CID 172526926) is 3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline.

What is the SMILES notation for 3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline?

The canonical SMILES for 3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline is c1ccc(-c2c(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4cccc(-c5cccc6ccccc56)c4)cc3)ccc3ccccc23)cc1.

What is the InChIKey of 3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline?

The InChIKey is FIACTRYQUIFDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N/c1-2-16-49(17-3-1)60-58-24-9-6-15-46(58)35-40-59(60)48-33-38-52(39-34-48)61(53-21-10-20-50(41-53)57-26-12-19-45-14-5-8-23-55(45)57)51-36-31-43(32-37-51)42-27-29-47(30-28-42)56-25-11-18-44-13-4-7-22-54(44)56/h1-41H.

What are the key properties of 3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline?

3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline has a molecular weight of 776.00 g/mol, XLogP of 16.95, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline is sourced from PubChem (CID 172526926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).