1-bromo-4-(4-fluorophenyl)benzene;2,4-diphenyl-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

C84H64BBrF2N6O2 — CID 157441066

About 1-bromo-4-(4-fluorophenyl)benzene;2,4-diphenyl-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

1-bromo-4-(4-fluorophenyl)benzene;2,4-diphenyl-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 157441066) has the molecular formula C84H64BBrF2N6O2 and a molecular weight of 1318.19 g/mol. Its IUPAC name is 1-bromo-4-(4-fluorophenyl)benzene;2,4-diphenyl-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 1-bromo-4-(4-fluorophenyl)benzene;2,4-diphenyl-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 157441066
• Molecular Formula: C84H64BBrF2N6O2
• Molecular Weight: 1318.19 g/mol
• Exact Mass: 1316.43
• IUPAC Name: 1-bromo-4-(4-fluorophenyl)benzene;2,4-diphenyl-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
• SMILES: CC1(C)OB(c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2)OC1(C)C.Fc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)cc2)cc1.Fc1ccc(-c2ccc(Br)cc2)cc1
• InChI: InChI=1S/C39H26FN3.C33H30BN3O2.C12H8BrF/c40-36-25-23-32(24-26-36)30-17-15-28(16-18-30)27-11-13-29(14-12-27)31-19-21-35(22-20-31)39-42-37(33-7-3-1-4-8-33)41-38(43-39)34-9-5-2-6-10-34;1-32(2)33(3,4)39-34(38-32)28-21-19-24(20-22-28)23-15-17-27(18-16-23)31-36-29(25-11-7-5-8-12-25)35-30(37-31)26-13-9-6-10-14-26;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-26H;5-22H,1-4H3;1-8H
• InChIKey: BRRGYQARDWYLOL-UHFFFAOYSA-N
• XLogP: 21.11
• TPSA: 95.80 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1318.19
LogP ≤ 5	21.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-bromo-4-(4-fluorophenyl)benzene;2,4-diphenyl-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 157441066) is 1-bromo-4-(4-fluorophenyl)benzene;2,4-diphenyl-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

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

The canonical SMILES for 1-bromo-4-(4-fluorophenyl)benzene;2,4-diphenyl-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is CC1(C)OB(c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2)OC1(C)C.Fc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)cc2)cc1.Fc1ccc(-c2ccc(Br)cc2)cc1.

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

The InChIKey is BRRGYQARDWYLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26FN3.C33H30BN3O2.C12H8BrF/c40-36-25-23-32(24-26-36)30-17-15-28(16-18-30)27-11-13-29(14-12-27)31-19-21-35(22-20-31)39-42-37(33-7-3-1-4-8-33)41-38(43-39)34-9-5-2-6-10-34;1-32(2)33(3,4)39-34(38-32)28-21-19-24(20-22-28)23-15-17-27(18-16-23)31-36-29(25-11-7-5-8-12-25)35-30(37-31)26-13-9-6-10-14-26;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-26H;5-22H,1-4H3;1-8H.

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

1-bromo-4-(4-fluorophenyl)benzene;2,4-diphenyl-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 1318.19 g/mol, XLogP of 21.11, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-4-(4-fluorophenyl)benzene;2,4-diphenyl-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 157441066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).