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

C57H37N3 — CID 169302511

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

2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(5-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine (PubChem CID 169302511) has the molecular formula C57H37N3 and a molecular weight of 763.94 g/mol. Its IUPAC name is 2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(5-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(5-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
• PubChem CID: 169302511
• Molecular Formula: C57H37N3
• Molecular Weight: 763.94 g/mol
• Exact Mass: 763.30
• IUPAC Name: 2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(5-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
• SMILES: c1ccc(-c2ccc3cc(-c4nc(-c5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5)nc(-c5cccc6c(-c7ccccc7)cccc56)n4)ccc3c2)cc1
• InChI: InChI=1S/C57H37N3/c1-3-12-38(13-4-1)45-32-33-47-37-48(35-34-46(47)36-45)56-58-55(59-57(60-56)54-23-11-21-52-51(20-10-22-53(52)54)41-14-5-2-6-15-41)44-30-26-40(27-31-44)39-24-28-43(29-25-39)50-19-9-17-42-16-7-8-18-49(42)50/h1-37H
• InChIKey: KRNHJJHPMWKUKL-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-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(5-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine?

The IUPAC name of 2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(5-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine (CID 169302511) is 2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(5-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine.

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

The canonical SMILES for 2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(5-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine is c1ccc(-c2ccc3cc(-c4nc(-c5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5)nc(-c5cccc6c(-c7ccccc7)cccc56)n4)ccc3c2)cc1.

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

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

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

2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(5-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-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-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(5-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine is sourced from PubChem (CID 169302511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).