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

C62H47BClF7N6O2 — CID 159408074

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

2-(3-chloro-4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[4-fluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(2-fluoro-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 159408074) has the molecular formula C62H47BClF7N6O2 and a molecular weight of 1087.35 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[4-fluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(2-fluoro-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-(3-chloro-4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[4-fluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(2-fluoro-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• PubChem CID: 159408074
• Molecular Formula: C62H47BClF7N6O2
• Molecular Weight: 1087.35 g/mol
• Exact Mass: 1086.34
• IUPAC Name: 2-(3-chloro-4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[4-fluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(2-fluoro-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: Cc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1.Fc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1cc(C(F)(F)F)ccc1F.Fc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1Cl
• InChI: InChI=1S/C28H16F5N3.C21H13ClFN3.C13H18BFO2/c29-23-13-11-19(15-21(23)22-16-20(28(31,32)33)12-14-24(22)30)27-35-25(17-7-3-1-4-8-17)34-26(36-27)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;1-9-6-7-11(15)10(8-9)14-16-12(2,3)13(4,5)17-14/h1-16H;1-13H;6-8H,1-5H3
• InChIKey: LOFJZUXOROIQSR-UHFFFAOYSA-N
• XLogP: 15.94
• TPSA: 95.80 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1087.35
LogP ≤ 5	15.94
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-(3-chloro-4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[4-fluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(2-fluoro-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The IUPAC name of 2-(3-chloro-4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[4-fluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(2-fluoro-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 159408074) is 2-(3-chloro-4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[4-fluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(2-fluoro-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

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

The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[4-fluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(2-fluoro-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is Cc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1.Fc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1cc(C(F)(F)F)ccc1F.Fc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1Cl.

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

The InChIKey is LOFJZUXOROIQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16F5N3.C21H13ClFN3.C13H18BFO2/c29-23-13-11-19(15-21(23)22-16-20(28(31,32)33)12-14-24(22)30)27-35-25(17-7-3-1-4-8-17)34-26(36-27)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;1-9-6-7-11(15)10(8-9)14-16-12(2,3)13(4,5)17-14/h1-16H;1-13H;6-8H,1-5H3.

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

2-(3-chloro-4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[4-fluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(2-fluoro-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 1087.35 g/mol, XLogP of 15.94, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chloro-4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[4-fluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(2-fluoro-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 159408074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).