2-(3-bromophenyl)-3,5,6-triphenylpyrazine;2,4-diphenyl-6-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine

C116H86BBrN10O2 — CID 157200705

About 2-(3-bromophenyl)-3,5,6-triphenylpyrazine;2,4-diphenyl-6-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine

2-(3-bromophenyl)-3,5,6-triphenylpyrazine;2,4-diphenyl-6-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine (PubChem CID 157200705) has the molecular formula C116H86BBrN10O2 and a molecular weight of 1742.75 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3,5,6-triphenylpyrazine;2,4-diphenyl-6-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(3-bromophenyl)-3,5,6-triphenylpyrazine;2,4-diphenyl-6-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine
• PubChem CID: 157200705
• Molecular Formula: C116H86BBrN10O2
• Molecular Weight: 1742.75 g/mol
• Exact Mass: 1740.62
• IUPAC Name: 2-(3-bromophenyl)-3,5,6-triphenylpyrazine;2,4-diphenyl-6-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine
• SMILES: Brc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)nc2-c2ccccc2)c1.CC1(C)OB(c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)OC1(C)C.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)c(-c7ccccc7)nc6-c6ccccc6)c5)c4)c3)n2)cc1
• InChI: InChI=1S/C55H37N5.C33H30BN3O2.C28H19BrN2/c1-6-19-38(20-7-1)49-50(39-21-8-2-9-22-39)57-52(51(56-49)40-23-10-3-11-24-40)47-33-17-31-45(36-47)43-29-16-30-44(35-43)46-32-18-34-48(37-46)55-59-53(41-25-12-4-13-26-41)58-54(60-55)42-27-14-5-15-28-42;1-32(2)33(3,4)39-34(38-32)28-20-12-18-26(22-28)25-17-11-19-27(21-25)31-36-29(23-13-7-5-8-14-23)35-30(37-31)24-15-9-6-10-16-24;29-24-18-10-17-23(19-24)28-27(22-15-8-3-9-16-22)30-25(20-11-4-1-5-12-20)26(31-28)21-13-6-2-7-14-21/h1-37H;5-22H,1-4H3;1-19H
• InChIKey: AQTMBIKGCUWNDG-UHFFFAOYSA-N
• XLogP: 28.41
• TPSA: 147.36 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1742.75
LogP ≤ 5	28.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3,5,6-triphenylpyrazine;2,4-diphenyl-6-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine?

The IUPAC name of 2-(3-bromophenyl)-3,5,6-triphenylpyrazine;2,4-diphenyl-6-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine (CID 157200705) is 2-(3-bromophenyl)-3,5,6-triphenylpyrazine;2,4-diphenyl-6-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine.

What is the SMILES notation for 2-(3-bromophenyl)-3,5,6-triphenylpyrazine;2,4-diphenyl-6-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine?

The canonical SMILES for 2-(3-bromophenyl)-3,5,6-triphenylpyrazine;2,4-diphenyl-6-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine is Brc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)nc2-c2ccccc2)c1.CC1(C)OB(c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)OC1(C)C.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)c(-c7ccccc7)nc6-c6ccccc6)c5)c4)c3)n2)cc1.

What is the InChIKey of 2-(3-bromophenyl)-3,5,6-triphenylpyrazine;2,4-diphenyl-6-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine?

The InChIKey is AQTMBIKGCUWNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N5.C33H30BN3O2.C28H19BrN2/c1-6-19-38(20-7-1)49-50(39-21-8-2-9-22-39)57-52(51(56-49)40-23-10-3-11-24-40)47-33-17-31-45(36-47)43-29-16-30-44(35-43)46-32-18-34-48(37-46)55-59-53(41-25-12-4-13-26-41)58-54(60-55)42-27-14-5-15-28-42;1-32(2)33(3,4)39-34(38-32)28-20-12-18-26(22-28)25-17-11-19-27(21-25)31-36-29(23-13-7-5-8-14-23)35-30(37-31)24-15-9-6-10-16-24;29-24-18-10-17-23(19-24)28-27(22-15-8-3-9-16-22)30-25(20-11-4-1-5-12-20)26(31-28)21-13-6-2-7-14-21/h1-37H;5-22H,1-4H3;1-19H.

What are the key properties of 2-(3-bromophenyl)-3,5,6-triphenylpyrazine;2,4-diphenyl-6-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine?

2-(3-bromophenyl)-3,5,6-triphenylpyrazine;2,4-diphenyl-6-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine has a molecular weight of 1742.75 g/mol, XLogP of 28.41, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-bromophenyl)-3,5,6-triphenylpyrazine;2,4-diphenyl-6-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 157200705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).