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

C61H39N3O — CID 164808482

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

2-(4-phenylnaphthalen-1-yl)-4-[6-(4-phenylphenyl)dibenzofuran-1-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 164808482) has the molecular formula C61H39N3O and a molecular weight of 830.00 g/mol. Its IUPAC name is 2-(4-phenylnaphthalen-1-yl)-4-[6-(4-phenylphenyl)dibenzofuran-1-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(4-phenylnaphthalen-1-yl)-4-[6-(4-phenylphenyl)dibenzofuran-1-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
• PubChem CID: 164808482
• Molecular Formula: C61H39N3O
• Molecular Weight: 830.00 g/mol
• Exact Mass: 829.31
• IUPAC Name: 2-(4-phenylnaphthalen-1-yl)-4-[6-(4-phenylphenyl)dibenzofuran-1-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccc(-c6ccccc6)c6ccccc56)nc(-c5cccc6oc7c(-c8ccc(-c9ccccc9)cc8)cccc7c56)n4)c3)cc2)cc1
• InChI: InChI=1S/C61H39N3O/c1-4-15-40(16-5-1)42-29-31-44(32-30-42)47-21-12-22-48(39-47)59-62-60(53-38-37-49(45-19-8-3-9-20-45)51-23-10-11-24-52(51)53)64-61(63-59)55-27-14-28-56-57(55)54-26-13-25-50(58(54)65-56)46-35-33-43(34-36-46)41-17-6-2-7-18-41/h1-39H
• InChIKey: WHXVOUZABFXACN-UHFFFAOYSA-N
• XLogP: 16.26
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	830.00
LogP ≤ 5	16.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-(4-phenylnaphthalen-1-yl)-4-[6-(4-phenylphenyl)dibenzofuran-1-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine (CID 164808482) is 2-(4-phenylnaphthalen-1-yl)-4-[6-(4-phenylphenyl)dibenzofuran-1-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine.

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

The canonical SMILES for 2-(4-phenylnaphthalen-1-yl)-4-[6-(4-phenylphenyl)dibenzofuran-1-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccc(-c6ccccc6)c6ccccc56)nc(-c5cccc6oc7c(-c8ccc(-c9ccccc9)cc8)cccc7c56)n4)c3)cc2)cc1.

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

The InChIKey is WHXVOUZABFXACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N3O/c1-4-15-40(16-5-1)42-29-31-44(32-30-42)47-21-12-22-48(39-47)59-62-60(53-38-37-49(45-19-8-3-9-20-45)51-23-10-11-24-52(51)53)64-61(63-59)55-27-14-28-56-57(55)54-26-13-25-50(58(54)65-56)46-35-33-43(34-36-46)41-17-6-2-7-18-41/h1-39H.

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

2-(4-phenylnaphthalen-1-yl)-4-[6-(4-phenylphenyl)dibenzofuran-1-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 830.00 g/mol, XLogP of 16.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-phenylnaphthalen-1-yl)-4-[6-(4-phenylphenyl)dibenzofuran-1-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 164808482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).