2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine

C30H19BrN6 — CID 155708562

About 2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine

2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine (PubChem CID 155708562) has the molecular formula C30H19BrN6 and a molecular weight of 543.43 g/mol. Its IUPAC name is 2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
• PubChem CID: 155708562
• Molecular Formula: C30H19BrN6
• Molecular Weight: 543.43 g/mol
• Exact Mass: 542.09
• IUPAC Name: 2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
• SMILES: Brc1cc(-c2ccncc2)cc(-c2nc(-c3ccncc3)nc(-c3ccc(-c4cccnc4)cc3)n2)c1
• InChI: InChI=1S/C30H19BrN6/c31-27-17-25(21-7-12-32-13-8-21)16-26(18-27)30-36-28(35-29(37-30)23-9-14-33-15-10-23)22-5-3-20(4-6-22)24-2-1-11-34-19-24/h1-19H
• InChIKey: JIXJFBKVRBCUPF-UHFFFAOYSA-N
• XLogP: 7.15
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.43
LogP ≤ 5	7.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?

The IUPAC name of 2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine (CID 155708562) is 2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine is Brc1cc(-c2ccncc2)cc(-c2nc(-c3ccncc3)nc(-c3ccc(-c4cccnc4)cc3)n2)c1.

What is the InChIKey of 2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?

The InChIKey is JIXJFBKVRBCUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19BrN6/c31-27-17-25(21-7-12-32-13-8-21)16-26(18-27)30-36-28(35-29(37-30)23-9-14-33-15-10-23)22-5-3-20(4-6-22)24-2-1-11-34-19-24/h1-19H.

What are the key properties of 2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?

2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine has a molecular weight of 543.43 g/mol, XLogP of 7.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 155708562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).