2-(4-chloro-3-fluorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-fluoro-4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[2-fluoro-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C62H44BClF10N6O2 — CID 159782958

About 2-(4-chloro-3-fluorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-fluoro-4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[2-fluoro-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(4-chloro-3-fluorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-fluoro-4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[2-fluoro-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 159782958) has the molecular formula C62H44BClF10N6O2 and a molecular weight of 1141.32 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-fluoro-4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[2-fluoro-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-(4-chloro-3-fluorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-fluoro-4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[2-fluoro-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• PubChem CID: 159782958
• Molecular Formula: C62H44BClF10N6O2
• Molecular Weight: 1141.32 g/mol
• Exact Mass: 1140.31
• IUPAC Name: 2-(4-chloro-3-fluorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-fluoro-4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[2-fluoro-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(c2ccc(C(F)(F)F)cc2F)OC1(C)C.Fc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccc(C(F)(F)F)cc1F.Fc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1Cl
• InChI: InChI=1S/C28H16F5N3.C21H13ClFN3.C13H15BF4O2/c29-23-15-19(11-13-21(23)22-14-12-20(16-24(22)30)28(31,32)33)27-35-25(17-7-3-1-4-8-17)34-26(36-27)18-9-5-2-6-10-18;22-17-12-11-16(13-18(17)23)21-25-19(14-7-3-1-4-8-14)24-20(26-21)15-9-5-2-6-10-15;1-11(2)12(3,4)20-14(19-11)9-6-5-8(7-10(9)15)13(16,17)18/h1-16H;1-13H;5-7H,1-4H3
• InChIKey: NHPCKKOXUIGONE-UHFFFAOYSA-N
• XLogP: 16.65
• TPSA: 95.80 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1141.32
LogP ≤ 5	16.65
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 2-(4-chloro-3-fluorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-fluoro-4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[2-fluoro-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The IUPAC name of 2-(4-chloro-3-fluorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-fluoro-4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[2-fluoro-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 159782958) is 2-(4-chloro-3-fluorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-fluoro-4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[2-fluoro-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-fluoro-4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[2-fluoro-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-fluoro-4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[2-fluoro-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(c2ccc(C(F)(F)F)cc2F)OC1(C)C.Fc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccc(C(F)(F)F)cc1F.Fc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1Cl.

What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-fluoro-4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[2-fluoro-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The InChIKey is NHPCKKOXUIGONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16F5N3.C21H13ClFN3.C13H15BF4O2/c29-23-15-19(11-13-21(23)22-14-12-20(16-24(22)30)28(31,32)33)27-35-25(17-7-3-1-4-8-17)34-26(36-27)18-9-5-2-6-10-18;22-17-12-11-16(13-18(17)23)21-25-19(14-7-3-1-4-8-14)24-20(26-21)15-9-5-2-6-10-15;1-11(2)12(3,4)20-14(19-11)9-6-5-8(7-10(9)15)13(16,17)18/h1-16H;1-13H;5-7H,1-4H3.

What are the key properties of 2-(4-chloro-3-fluorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-fluoro-4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[2-fluoro-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

2-(4-chloro-3-fluorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-fluoro-4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[2-fluoro-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 1141.32 g/mol, XLogP of 16.65, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-3-fluorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-fluoro-4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[2-fluoro-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 159782958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).