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

C60H38Br2N6 — CID 126592499

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

2-[3-bromo-5-[3-[3-[4-(3-bromo-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 126592499) has the molecular formula C60H38Br2N6 and a molecular weight of 1002.81 g/mol. Its IUPAC name is 2-[3-bromo-5-[3-[3-[4-(3-bromo-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[3-bromo-5-[3-[3-[4-(3-bromo-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
• PubChem CID: 126592499
• Molecular Formula: C60H38Br2N6
• Molecular Weight: 1002.81 g/mol
• Exact Mass: 1000.15
• IUPAC Name: 2-[3-bromo-5-[3-[3-[4-(3-bromo-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
• SMILES: Brc1cc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)c(Br)c5)n4)c3)c2)cc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c1
• InChI: InChI=1S/C60H38Br2N6/c61-52-36-50(35-51(37-52)60-66-55(42-19-9-3-10-20-42)63-57(67-60)44-29-27-40(28-30-44)39-15-5-1-6-16-39)47-25-13-23-45(33-47)46-24-14-26-48(34-46)58-64-56(43-21-11-4-12-22-43)65-59(68-58)49-31-32-53(54(62)38-49)41-17-7-2-8-18-41/h1-38H
• InChIKey: STSLKEKZZKIJSC-UHFFFAOYSA-N
• XLogP: 16.25
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1002.81
LogP ≤ 5	16.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[3-bromo-5-[3-[3-[4-(3-bromo-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 126592499) is 2-[3-bromo-5-[3-[3-[4-(3-bromo-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

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

The canonical SMILES for 2-[3-bromo-5-[3-[3-[4-(3-bromo-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is Brc1cc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)c(Br)c5)n4)c3)c2)cc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c1.

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

The InChIKey is STSLKEKZZKIJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38Br2N6/c61-52-36-50(35-51(37-52)60-66-55(42-19-9-3-10-20-42)63-57(67-60)44-29-27-40(28-30-44)39-15-5-1-6-16-39)47-25-13-23-45(33-47)46-24-14-26-48(34-46)58-64-56(43-21-11-4-12-22-43)65-59(68-58)49-31-32-53(54(62)38-49)41-17-7-2-8-18-41/h1-38H.

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

2-[3-bromo-5-[3-[3-[4-(3-bromo-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 1002.81 g/mol, XLogP of 16.25, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-bromo-5-[3-[3-[4-(3-bromo-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 126592499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).