2-(3,5-diphenylphenyl)-4-(3-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine

C57H37N3O — CID 164797978

About 2-(3,5-diphenylphenyl)-4-(3-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine

2-(3,5-diphenylphenyl)-4-(3-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine (PubChem CID 164797978) has the molecular formula C57H37N3O and a molecular weight of 779.94 g/mol. Its IUPAC name is 2-(3,5-diphenylphenyl)-4-(3-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(3,5-diphenylphenyl)-4-(3-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
• PubChem CID: 164797978
• Molecular Formula: C57H37N3O
• Molecular Weight: 779.94 g/mol
• Exact Mass: 779.29
• IUPAC Name: 2-(3,5-diphenylphenyl)-4-(3-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
• SMILES: c1ccc(-c2ccc(-c3cccc4oc5cc(-c6nc(-c7cccc(-c8ccccc8)c7)nc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)n6)ccc5c34)cc2)cc1
• InChI: InChI=1S/C57H37N3O/c1-5-15-38(16-6-1)42-27-29-43(30-28-42)50-25-14-26-52-54(50)51-32-31-46(37-53(51)61-52)56-58-55(45-24-13-23-44(33-45)39-17-7-2-8-18-39)59-57(60-56)49-35-47(40-19-9-3-10-20-40)34-48(36-49)41-21-11-4-12-22-41/h1-37H
• InChIKey: ILRXTMZUVXMFJZ-UHFFFAOYSA-N
• XLogP: 15.11
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	779.94
LogP ≤ 5	15.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenylphenyl)-4-(3-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine?

The IUPAC name of 2-(3,5-diphenylphenyl)-4-(3-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine (CID 164797978) is 2-(3,5-diphenylphenyl)-4-(3-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine.

What is the SMILES notation for 2-(3,5-diphenylphenyl)-4-(3-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine?

The canonical SMILES for 2-(3,5-diphenylphenyl)-4-(3-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine is c1ccc(-c2ccc(-c3cccc4oc5cc(-c6nc(-c7cccc(-c8ccccc8)c7)nc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)n6)ccc5c34)cc2)cc1.

What is the InChIKey of 2-(3,5-diphenylphenyl)-4-(3-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine?

The InChIKey is ILRXTMZUVXMFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N3O/c1-5-15-38(16-6-1)42-27-29-43(30-28-42)50-25-14-26-52-54(50)51-32-31-46(37-53(51)61-52)56-58-55(45-24-13-23-44(33-45)39-17-7-2-8-18-39)59-57(60-56)49-35-47(40-19-9-3-10-20-40)34-48(36-49)41-21-11-4-12-22-41/h1-37H.

What are the key properties of 2-(3,5-diphenylphenyl)-4-(3-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine?

2-(3,5-diphenylphenyl)-4-(3-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine has a molecular weight of 779.94 g/mol, XLogP of 15.11, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-diphenylphenyl)-4-(3-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine is sourced from PubChem (CID 164797978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).