2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine

C55H37N5 — CID 163428820

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

2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine (PubChem CID 163428820) has the molecular formula C55H37N5 and a molecular weight of 767.94 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
• PubChem CID: 163428820
• Molecular Formula: C55H37N5
• Molecular Weight: 767.94 g/mol
• Exact Mass: 767.30
• IUPAC Name: 2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2cccc(-c3ccc(-c4cc(-c5ccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)cc5)nc(-c5ccccc5)n4)cc3)c2)cc1
• InChI: InChI=1S/C55H37N5/c1-5-15-38(16-6-1)46-23-13-24-47(35-46)39-27-31-41(32-28-39)50-37-51(57-52(56-50)43-17-7-2-8-18-43)42-33-29-40(30-34-42)48-25-14-26-49(36-48)55-59-53(44-19-9-3-10-20-44)58-54(60-55)45-21-11-4-12-22-45/h1-37H
• InChIKey: PINQEIIYDUDBPL-UHFFFAOYSA-N
• XLogP: 13.66
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	767.94
LogP ≤ 5	13.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine (CID 163428820) is 2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine.

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

The canonical SMILES for 2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine is c1ccc(-c2cccc(-c3ccc(-c4cc(-c5ccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)cc5)nc(-c5ccccc5)n4)cc3)c2)cc1.

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

The InChIKey is PINQEIIYDUDBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N5/c1-5-15-38(16-6-1)46-23-13-24-47(35-46)39-27-31-41(32-28-39)50-37-51(57-52(56-50)43-17-7-2-8-18-43)42-33-29-40(30-34-42)48-25-14-26-49(36-48)55-59-53(44-19-9-3-10-20-44)58-54(60-55)45-21-11-4-12-22-45/h1-37H.

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

2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine has a molecular weight of 767.94 g/mol, XLogP of 13.66, 9 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-[4-[2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 163428820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).