2-(4-naphthalen-2-ylphenyl)-4-(2-naphthalen-2-yl-3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine

C53H35N3 — CID 169297135

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

2-(4-naphthalen-2-ylphenyl)-4-(2-naphthalen-2-yl-3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 169297135) has the molecular formula C53H35N3 and a molecular weight of 713.88 g/mol. Its IUPAC name is 2-(4-naphthalen-2-ylphenyl)-4-(2-naphthalen-2-yl-3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(4-naphthalen-2-ylphenyl)-4-(2-naphthalen-2-yl-3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
• PubChem CID: 169297135
• Molecular Formula: C53H35N3
• Molecular Weight: 713.88 g/mol
• Exact Mass: 713.28
• IUPAC Name: 2-(4-naphthalen-2-ylphenyl)-4-(2-naphthalen-2-yl-3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc(-c4cccc(-c5ccccc5)c4-c4ccc5ccccc5c4)n3)cc2)cc1
• InChI: InChI=1S/C53H35N3/c1-3-12-36(13-4-1)39-22-28-42(29-23-39)51-54-52(43-30-24-40(25-31-43)46-32-26-37-14-7-9-18-44(37)34-46)56-53(55-51)49-21-11-20-48(41-16-5-2-6-17-41)50(49)47-33-27-38-15-8-10-19-45(38)35-47/h1-35H
• InChIKey: WWDNPGNTDZXLGL-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-naphthalen-2-ylphenyl)-4-(2-naphthalen-2-yl-3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-(4-naphthalen-2-ylphenyl)-4-(2-naphthalen-2-yl-3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 169297135) is 2-(4-naphthalen-2-ylphenyl)-4-(2-naphthalen-2-yl-3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.

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

The canonical SMILES for 2-(4-naphthalen-2-ylphenyl)-4-(2-naphthalen-2-yl-3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc(-c4cccc(-c5ccccc5)c4-c4ccc5ccccc5c4)n3)cc2)cc1.

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

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

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

2-(4-naphthalen-2-ylphenyl)-4-(2-naphthalen-2-yl-3-phenylphenyl)-6-(4-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-naphthalen-2-ylphenyl)-4-(2-naphthalen-2-yl-3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 169297135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).