2-(3-naphthalen-1-ylphenyl)-4-(5-phenylnaphthalen-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine

C57H37N3 — CID 166022163

About 2-(3-naphthalen-1-ylphenyl)-4-(5-phenylnaphthalen-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine

2-(3-naphthalen-1-ylphenyl)-4-(5-phenylnaphthalen-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine (PubChem CID 166022163) has the molecular formula C57H37N3 and a molecular weight of 763.94 g/mol. Its IUPAC name is 2-(3-naphthalen-1-ylphenyl)-4-(5-phenylnaphthalen-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(3-naphthalen-1-ylphenyl)-4-(5-phenylnaphthalen-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
• PubChem CID: 166022163
• Molecular Formula: C57H37N3
• Molecular Weight: 763.94 g/mol
• Exact Mass: 763.30
• IUPAC Name: 2-(3-naphthalen-1-ylphenyl)-4-(5-phenylnaphthalen-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2ccc3cc(-c4cccc(-c5nc(-c6cccc(-c7cccc8ccccc78)c6)nc(-c6ccc7c(-c8ccccc8)cccc7c6)n5)c4)ccc3c2)cc1
• InChI: InChI=1S/C57H37N3/c1-3-13-38(14-4-1)42-27-28-45-34-43(29-30-44(45)33-42)41-19-9-22-48(35-41)55-58-56(49-23-10-20-46(36-49)53-26-11-18-40-17-7-8-24-51(40)53)60-57(59-55)50-31-32-54-47(37-50)21-12-25-52(54)39-15-5-2-6-16-39/h1-37H
• InChIKey: YLJLOFLPMDQKGK-UHFFFAOYSA-N
• XLogP: 15.00
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	763.94
LogP ≤ 5	15.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-1-ylphenyl)-4-(5-phenylnaphthalen-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine?

The IUPAC name of 2-(3-naphthalen-1-ylphenyl)-4-(5-phenylnaphthalen-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine (CID 166022163) is 2-(3-naphthalen-1-ylphenyl)-4-(5-phenylnaphthalen-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine.

What is the SMILES notation for 2-(3-naphthalen-1-ylphenyl)-4-(5-phenylnaphthalen-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine?

The canonical SMILES for 2-(3-naphthalen-1-ylphenyl)-4-(5-phenylnaphthalen-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine is c1ccc(-c2ccc3cc(-c4cccc(-c5nc(-c6cccc(-c7cccc8ccccc78)c6)nc(-c6ccc7c(-c8ccccc8)cccc7c6)n5)c4)ccc3c2)cc1.

What is the InChIKey of 2-(3-naphthalen-1-ylphenyl)-4-(5-phenylnaphthalen-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine?

The InChIKey is YLJLOFLPMDQKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N3/c1-3-13-38(14-4-1)42-27-28-45-34-43(29-30-44(45)33-42)41-19-9-22-48(35-41)55-58-56(49-23-10-20-46(36-49)53-26-11-18-40-17-7-8-24-51(40)53)60-57(59-55)50-31-32-54-47(37-50)21-12-25-52(54)39-15-5-2-6-16-39/h1-37H.

What are the key properties of 2-(3-naphthalen-1-ylphenyl)-4-(5-phenylnaphthalen-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine?

2-(3-naphthalen-1-ylphenyl)-4-(5-phenylnaphthalen-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine has a molecular weight of 763.94 g/mol, XLogP of 15.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-naphthalen-1-ylphenyl)-4-(5-phenylnaphthalen-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 166022163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).