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

C51H33N3O — CID 142425244

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

2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine (PubChem CID 142425244) has the molecular formula C51H33N3O and a molecular weight of 703.85 g/mol. Its IUPAC name is 2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
• PubChem CID: 142425244
• Molecular Formula: C51H33N3O
• Molecular Weight: 703.85 g/mol
• Exact Mass: 703.26
• IUPAC Name: 2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2ccc(-c3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7cccc8oc9ccccc9c78)cc6)n5)c4)cc3)cc2)cc1
• InChI: InChI=1S/C51H33N3O/c1-3-11-34(12-4-1)35-21-23-36(24-22-35)37-25-27-38(28-26-37)42-15-9-16-43(33-42)51-53-49(40-13-5-2-6-14-40)52-50(54-51)41-31-29-39(30-32-41)44-18-10-20-47-48(44)45-17-7-8-19-46(45)55-47/h1-33H
• InChIKey: FSFRAKNKVXALGF-UHFFFAOYSA-N
• XLogP: 13.44
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	703.85
LogP ≤ 5	13.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine (CID 142425244) is 2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine.

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

The canonical SMILES for 2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine is c1ccc(-c2ccc(-c3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7cccc8oc9ccccc9c78)cc6)n5)c4)cc3)cc2)cc1.

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

The InChIKey is FSFRAKNKVXALGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3O/c1-3-11-34(12-4-1)35-21-23-36(24-22-35)37-25-27-38(28-26-37)42-15-9-16-43(33-42)51-53-49(40-13-5-2-6-14-40)52-50(54-51)41-31-29-39(30-32-41)44-18-10-20-47-48(44)45-17-7-8-19-46(45)55-47/h1-33H.

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

2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine has a molecular weight of 703.85 g/mol, XLogP of 13.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 142425244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).