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

C53H35N3 — CID 169302485

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

2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 169302485) has the molecular formula C53H35N3 and a molecular weight of 713.88 g/mol. Its IUPAC name is 2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
• PubChem CID: 169302485
• Molecular Formula: C53H35N3
• Molecular Weight: 713.88 g/mol
• Exact Mass: 713.28
• IUPAC Name: 2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)nc(-c4ccc5cc(-c6ccccc6)ccc5c4)n3)c2)cc1
• InChI: InChI=1S/C53H35N3/c1-3-11-36(12-4-1)43-17-9-18-47(34-43)52-54-51(55-53(56-52)48-32-31-45-33-44(29-30-46(45)35-48)37-13-5-2-6-14-37)42-27-23-39(24-28-42)38-21-25-41(26-22-38)50-20-10-16-40-15-7-8-19-49(40)50/h1-35H
• InChIKey: BUJRUFYYAWASQW-UHFFFAOYSA-N
• XLogP: 13.85
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	713.88
LogP ≤ 5	13.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine (CID 169302485) is 2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine.

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

The canonical SMILES for 2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)nc(-c4ccc5cc(-c6ccccc6)ccc5c4)n3)c2)cc1.

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

The InChIKey is BUJRUFYYAWASQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3/c1-3-11-36(12-4-1)43-17-9-18-47(34-43)52-54-51(55-53(56-52)48-32-31-45-33-44(29-30-46(45)35-48)37-13-5-2-6-14-37)42-27-23-39(24-28-42)38-21-25-41(26-22-38)50-20-10-16-40-15-7-8-19-49(40)50/h1-35H.

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

2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 713.88 g/mol, XLogP of 13.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 169302485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).