2,4-diphenyl-6-[3-[3-[6-phenyl-4-(3-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]phenyl]-1,3,5-triazine

C49H33N5 — CID 175141868

About 2,4-diphenyl-6-[3-[3-[6-phenyl-4-(3-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]phenyl]-1,3,5-triazine

2,4-diphenyl-6-[3-[3-[6-phenyl-4-(3-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]phenyl]-1,3,5-triazine (PubChem CID 175141868) has the molecular formula C49H33N5 and a molecular weight of 691.84 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-[3-[6-phenyl-4-(3-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-diphenyl-6-[3-[3-[6-phenyl-4-(3-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]phenyl]-1,3,5-triazine
• PubChem CID: 175141868
• Molecular Formula: C49H33N5
• Molecular Weight: 691.84 g/mol
• Exact Mass: 691.27
• IUPAC Name: 2,4-diphenyl-6-[3-[3-[6-phenyl-4-(3-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2cc(-c3cccc(-c4ccncc4)c3)cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)n2)cc1
• InChI: InChI=1S/C49H33N5/c1-4-13-35(14-5-1)45-32-44(41-22-10-19-38(29-41)34-25-27-50-28-26-34)33-46(51-45)42-23-11-20-39(30-42)40-21-12-24-43(31-40)49-53-47(36-15-6-2-7-16-36)52-48(54-49)37-17-8-3-9-18-37/h1-33H
• InChIKey: KFDXUWKQANKOHJ-UHFFFAOYSA-N
• XLogP: 12.00
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	691.84
LogP ≤ 5	12.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2,4-diphenyl-6-[3-[3-[6-phenyl-4-(3-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]phenyl]-1,3,5-triazine (CID 175141868) is 2,4-diphenyl-6-[3-[3-[6-phenyl-4-(3-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]phenyl]-1,3,5-triazine.

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

The canonical SMILES for 2,4-diphenyl-6-[3-[3-[6-phenyl-4-(3-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]phenyl]-1,3,5-triazine is c1ccc(-c2cc(-c3cccc(-c4ccncc4)c3)cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)n2)cc1.

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

The InChIKey is KFDXUWKQANKOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N5/c1-4-13-35(14-5-1)45-32-44(41-22-10-19-38(29-41)34-25-27-50-28-26-34)33-46(51-45)42-23-11-20-39(30-42)40-21-12-24-43(31-40)49-53-47(36-15-6-2-7-16-36)52-48(54-49)37-17-8-3-9-18-37/h1-33H.

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

2,4-diphenyl-6-[3-[3-[6-phenyl-4-(3-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]phenyl]-1,3,5-triazine has a molecular weight of 691.84 g/mol, XLogP of 12.00, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-6-[3-[3-[6-phenyl-4-(3-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 175141868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).