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

C57H39N3 — CID 166571456

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

2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 166571456) has the molecular formula C57H39N3 and a molecular weight of 765.96 g/mol. Its IUPAC name is 2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
• PubChem CID: 166571456
• Molecular Formula: C57H39N3
• Molecular Weight: 765.96 g/mol
• Exact Mass: 765.31
• IUPAC Name: 2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c6)c5)n4)cc3)cc2)cc1
• InChI: InChI=1S/C57H39N3/c1-5-15-40(16-6-1)43-27-29-44(30-28-43)45-31-33-47(34-32-45)56-58-55(46-21-11-4-12-22-46)59-57(60-56)51-26-14-24-49(36-51)48-23-13-25-50(35-48)54-38-52(41-17-7-2-8-18-41)37-53(39-54)42-19-9-3-10-20-42/h1-39H
• InChIKey: WNQKANVAHYRLBU-UHFFFAOYSA-N
• XLogP: 14.87
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	765.96
LogP ≤ 5	14.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine (CID 166571456) is 2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine.

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

The canonical SMILES for 2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c6)c5)n4)cc3)cc2)cc1.

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

The InChIKey is WNQKANVAHYRLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N3/c1-5-15-40(16-6-1)43-27-29-44(30-28-43)45-31-33-47(34-32-45)56-58-55(46-21-11-4-12-22-46)59-57(60-56)51-26-14-24-49(36-51)48-23-13-25-50(35-48)54-38-52(41-17-7-2-8-18-41)37-53(39-54)42-19-9-3-10-20-42/h1-39H.

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

2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 765.96 g/mol, XLogP of 14.87, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 166571456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).