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

C56H38N4 — CID 167363777

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

2-phenyl-4-(3-phenylphenyl)-6-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-1,3,5-triazine (PubChem CID 167363777) has the molecular formula C56H38N4 and a molecular weight of 766.95 g/mol. Its IUPAC name is 2-phenyl-4-(3-phenylphenyl)-6-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-phenyl-4-(3-phenylphenyl)-6-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-1,3,5-triazine
• PubChem CID: 167363777
• Molecular Formula: C56H38N4
• Molecular Weight: 766.95 g/mol
• Exact Mass: 766.31
• IUPAC Name: 2-phenyl-4-(3-phenylphenyl)-6-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5c(-c6ccccc6)c(-c6ccccc6)nc(-c6ccccc6)c5-c5ccccc5)cc4)n3)c2)cc1
• InChI: InChI=1S/C56H38N4/c1-7-20-39(21-8-1)47-32-19-33-48(38-47)56-59-54(45-30-17-6-18-31-45)58-55(60-56)46-36-34-42(35-37-46)49-50(40-22-9-2-10-23-40)52(43-26-13-4-14-27-43)57-53(44-28-15-5-16-29-44)51(49)41-24-11-3-12-25-41/h1-38H
• InChIKey: SYONQIPUMUHNEY-UHFFFAOYSA-N
• XLogP: 14.27
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	766.95
LogP ≤ 5	14.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-phenyl-4-(3-phenylphenyl)-6-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-1,3,5-triazine (CID 167363777) is 2-phenyl-4-(3-phenylphenyl)-6-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-1,3,5-triazine.

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

The canonical SMILES for 2-phenyl-4-(3-phenylphenyl)-6-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5c(-c6ccccc6)c(-c6ccccc6)nc(-c6ccccc6)c5-c5ccccc5)cc4)n3)c2)cc1.

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

The InChIKey is SYONQIPUMUHNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N4/c1-7-20-39(21-8-1)47-32-19-33-48(38-47)56-59-54(45-30-17-6-18-31-45)58-55(60-56)46-36-34-42(35-37-46)49-50(40-22-9-2-10-23-40)52(43-26-13-4-14-27-43)57-53(44-28-15-5-16-29-44)51(49)41-24-11-3-12-25-41/h1-38H.

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

2-phenyl-4-(3-phenylphenyl)-6-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-1,3,5-triazine has a molecular weight of 766.95 g/mol, XLogP of 14.27, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-4-(3-phenylphenyl)-6-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 167363777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).