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

C48H34N8 — CID 129265499

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

2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4-[4-(4-pyridin-2-ylphenyl)phenyl]-6-[4-(5-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine (PubChem CID 129265499) has the molecular formula C48H34N8 and a molecular weight of 722.86 g/mol. Its IUPAC name is 2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4-[4-(4-pyridin-2-ylphenyl)phenyl]-6-[4-(5-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4-[4-(4-pyridin-2-ylphenyl)phenyl]-6-[4-(5-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine
• PubChem CID: 129265499
• Molecular Formula: C48H34N8
• Molecular Weight: 722.86 g/mol
• Exact Mass: 722.29
• IUPAC Name: 2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4-[4-(4-pyridin-2-ylphenyl)phenyl]-6-[4-(5-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine
• SMILES: Cc1cc(C)nc(-c2ccc(-c3nc(-c4ccc(-c5ccc(-c6ccccn6)cc5)cc4)nc(-c4ccc(-c5ccc(-c6ccccn6)cn5)cc4)n3)cc2)n1
• InChI: InChI=1S/C48H34N8/c1-31-29-32(2)53-45(52-31)37-21-23-40(24-22-37)48-55-46(38-17-11-34(12-18-38)33-9-13-35(14-10-33)42-7-3-5-27-49-42)54-47(56-48)39-19-15-36(16-20-39)44-26-25-41(30-51-44)43-8-4-6-28-50-43/h3-30H,1-2H3
• InChIKey: HFDAKFPMOGLHQJ-UHFFFAOYSA-N
• XLogP: 10.80
• TPSA: 103.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	722.86
LogP ≤ 5	10.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4-[4-(4-pyridin-2-ylphenyl)phenyl]-6-[4-(5-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine (CID 129265499) is 2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4-[4-(4-pyridin-2-ylphenyl)phenyl]-6-[4-(5-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine.

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

The canonical SMILES for 2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4-[4-(4-pyridin-2-ylphenyl)phenyl]-6-[4-(5-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine is Cc1cc(C)nc(-c2ccc(-c3nc(-c4ccc(-c5ccc(-c6ccccn6)cc5)cc4)nc(-c4ccc(-c5ccc(-c6ccccn6)cn5)cc4)n3)cc2)n1.

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

The InChIKey is HFDAKFPMOGLHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N8/c1-31-29-32(2)53-45(52-31)37-21-23-40(24-22-37)48-55-46(38-17-11-34(12-18-38)33-9-13-35(14-10-33)42-7-3-5-27-49-42)54-47(56-48)39-19-15-36(16-20-39)44-26-25-41(30-51-44)43-8-4-6-28-50-43/h3-30H,1-2H3.

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

2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4-[4-(4-pyridin-2-ylphenyl)phenyl]-6-[4-(5-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine has a molecular weight of 722.86 g/mol, XLogP of 10.80, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4-[4-(4-pyridin-2-ylphenyl)phenyl]-6-[4-(5-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 129265499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).