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

C61H39N3O — CID 164808398

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

2-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 164808398) has the molecular formula C61H39N3O and a molecular weight of 830.00 g/mol. Its IUPAC name is 2-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
• PubChem CID: 164808398
• Molecular Formula: C61H39N3O
• Molecular Weight: 830.00 g/mol
• Exact Mass: 829.31
• IUPAC Name: 2-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc(-c6ccccc6)c5)cc4)nc(-c4cccc5oc6c(-c7ccc(-c8cccc9ccccc89)cc7)cccc6c45)n3)cc2)cc1
• InChI: InChI=1S/C61H39N3O/c1-3-13-40(14-4-1)42-27-35-47(36-28-42)59-62-60(48-37-29-43(30-38-48)50-20-9-19-49(39-50)41-15-5-2-6-16-41)64-61(63-59)55-25-12-26-56-57(55)54-24-11-23-53(58(54)65-56)46-33-31-45(32-34-46)52-22-10-18-44-17-7-8-21-51(44)52/h1-39H
• InChIKey: SIJGEFINKZZLCV-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-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine?

The IUPAC name of 2-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine (CID 164808398) is 2-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine.

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

The canonical SMILES for 2-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc(-c6ccccc6)c5)cc4)nc(-c4cccc5oc6c(-c7ccc(-c8cccc9ccccc89)cc7)cccc6c45)n3)cc2)cc1.

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

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

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

2-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-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-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 164808398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).