2-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-4-(8-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine

C61H39N3O — CID 164808644

About 2-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-4-(8-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine

2-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-4-(8-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 164808644) has the molecular formula C61H39N3O and a molecular weight of 830.00 g/mol. Its IUPAC name is 2-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-4-(8-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-4-(8-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
• PubChem CID: 164808644
• Molecular Formula: C61H39N3O
• Molecular Weight: 830.00 g/mol
• Exact Mass: 829.31
• IUPAC Name: 2-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-4-(8-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc5cccc(-c6ccccc6)c5c4)nc(-c4cccc5oc6c(-c7ccc(-c8ccccc8)cc7-c7ccccc7)cccc6c45)n3)cc2)cc1
• InChI: InChI=1S/C61H39N3O/c1-5-16-40(17-6-1)42-30-33-46(34-31-42)59-62-60(48-35-32-45-24-13-25-49(54(45)39-48)43-20-9-3-10-21-43)64-61(63-59)53-28-15-29-56-57(53)52-27-14-26-51(58(52)65-56)50-37-36-47(41-18-7-2-8-19-41)38-55(50)44-22-11-4-12-23-44/h1-39H
• InChIKey: BNPJRBGJOUDYMJ-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-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-4-(8-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-4-(8-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 164808644) is 2-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-4-(8-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-4-(8-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-4-(8-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc5cccc(-c6ccccc6)c5c4)nc(-c4cccc5oc6c(-c7ccc(-c8ccccc8)cc7-c7ccccc7)cccc6c45)n3)cc2)cc1.

What is the InChIKey of 2-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-4-(8-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine?

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

What are the key properties of 2-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-4-(8-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine?

2-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-4-(8-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-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-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-4-(8-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 164808644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).