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

C64H56B2Br2F4N8O4 — CID 158519748

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

2-(3-bromo-4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine;3-bromo-4-fluoropyridine;2-[4-fluoro-3-(4-fluoro-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158519748) has the molecular formula C64H56B2Br2F4N8O4 and a molecular weight of 1258.63 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine;3-bromo-4-fluoropyridine;2-[4-fluoro-3-(4-fluoro-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-(3-bromo-4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine;3-bromo-4-fluoropyridine;2-[4-fluoro-3-(4-fluoro-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 158519748
• Molecular Formula: C64H56B2Br2F4N8O4
• Molecular Weight: 1258.63 g/mol
• Exact Mass: 1256.29
• IUPAC Name: 2-(3-bromo-4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine;3-bromo-4-fluoropyridine;2-[4-fluoro-3-(4-fluoro-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Fc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1Br.Fc1ccncc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1F.Fc1ccncc1Br
• InChI: InChI=1S/C26H16F2N4.C21H13BrFN3.C12H24B2O4.C5H3BrFN/c27-22-12-11-19(15-20(22)21-16-29-14-13-23(21)28)26-31-24(17-7-3-1-4-8-17)30-25(32-26)18-9-5-2-6-10-18;22-17-13-16(11-12-18(17)23)21-25-19(14-7-3-1-4-8-14)24-20(26-21)15-9-5-2-6-10-15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;6-4-3-8-2-1-5(4)7/h1-16H;1-13H;1-8H3;1-3H
• InChIKey: HMBMZTUXMTZRNE-UHFFFAOYSA-N
• XLogP: 16.22
• TPSA: 140.04 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1258.63
LogP ≤ 5	16.22
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-bromo-4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine;3-bromo-4-fluoropyridine;2-[4-fluoro-3-(4-fluoro-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 2-(3-bromo-4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine;3-bromo-4-fluoropyridine;2-[4-fluoro-3-(4-fluoro-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158519748) is 2-(3-bromo-4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine;3-bromo-4-fluoropyridine;2-[4-fluoro-3-(4-fluoro-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

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

The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine;3-bromo-4-fluoropyridine;2-[4-fluoro-3-(4-fluoro-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Fc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1Br.Fc1ccncc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1F.Fc1ccncc1Br.

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

The InChIKey is HMBMZTUXMTZRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F2N4.C21H13BrFN3.C12H24B2O4.C5H3BrFN/c27-22-12-11-19(15-20(22)21-16-29-14-13-23(21)28)26-31-24(17-7-3-1-4-8-17)30-25(32-26)18-9-5-2-6-10-18;22-17-13-16(11-12-18(17)23)21-25-19(14-7-3-1-4-8-14)24-20(26-21)15-9-5-2-6-10-15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;6-4-3-8-2-1-5(4)7/h1-16H;1-13H;1-8H3;1-3H.

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

2-(3-bromo-4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine;3-bromo-4-fluoropyridine;2-[4-fluoro-3-(4-fluoro-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1258.63 g/mol, XLogP of 16.22, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-bromo-4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine;3-bromo-4-fluoropyridine;2-[4-fluoro-3-(4-fluoro-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158519748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).