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

C57H37N3 — CID 169040010

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

2-naphthalen-2-yl-4-[3-(6-naphthalen-1-yl-4-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 169040010) has the molecular formula C57H37N3 and a molecular weight of 763.94 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-[3-(6-naphthalen-1-yl-4-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-naphthalen-2-yl-4-[3-(6-naphthalen-1-yl-4-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
• PubChem CID: 169040010
• Molecular Formula: C57H37N3
• Molecular Weight: 763.94 g/mol
• Exact Mass: 763.30
• IUPAC Name: 2-naphthalen-2-yl-4-[3-(6-naphthalen-1-yl-4-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
• SMILES: c1ccc(-c2ccc(-c3nc(-c4cccc(-c5cc(-c6ccccc6)c6cc(-c7cccc8ccccc78)ccc6c5)c4)nc(-c4ccc5ccccc5c4)n3)cc2)cc1
• InChI: InChI=1S/C57H37N3/c1-3-13-38(14-4-1)40-25-28-43(29-26-40)55-58-56(60-57(59-55)49-32-27-39-15-7-8-19-44(39)33-49)48-22-11-21-45(34-48)50-35-46-30-31-47(52-24-12-20-41-18-9-10-23-51(41)52)36-54(46)53(37-50)42-16-5-2-6-17-42/h1-37H
• InChIKey: HYFHEEBFXHAJNJ-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-naphthalen-2-yl-4-[3-(6-naphthalen-1-yl-4-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-naphthalen-2-yl-4-[3-(6-naphthalen-1-yl-4-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine (CID 169040010) is 2-naphthalen-2-yl-4-[3-(6-naphthalen-1-yl-4-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine.

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

The canonical SMILES for 2-naphthalen-2-yl-4-[3-(6-naphthalen-1-yl-4-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4cccc(-c5cc(-c6ccccc6)c6cc(-c7cccc8ccccc78)ccc6c5)c4)nc(-c4ccc5ccccc5c4)n3)cc2)cc1.

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

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

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

2-naphthalen-2-yl-4-[3-(6-naphthalen-1-yl-4-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-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-naphthalen-2-yl-4-[3-(6-naphthalen-1-yl-4-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 169040010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).