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

C64H54BBrCl2N6O3 — CID 159304628

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

2-[4-(2-bromo-5-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;oxolane (PubChem CID 159304628) has the molecular formula C64H54BBrCl2N6O3 and a molecular weight of 1116.80 g/mol. Its IUPAC name is 2-[4-(2-bromo-5-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;oxolane.

Molecular Properties

• Compound Name: 2-[4-(2-bromo-5-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;oxolane
• PubChem CID: 159304628
• Molecular Formula: C64H54BBrCl2N6O3
• Molecular Weight: 1116.80 g/mol
• Exact Mass: 1114.29
• IUPAC Name: 2-[4-(2-bromo-5-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;oxolane
• SMILES: C1CCOC1.CC1(C)OB(c2ccc(Cl)cc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)OC1(C)C.Clc1ccc(Br)c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c1
• InChI: InChI=1S/C33H29BClN3O2.C27H17BrClN3.C4H8O/c1-32(2)33(3,4)40-34(39-32)28-20-19-26(35)21-27(28)22-15-17-25(18-16-22)31-37-29(23-11-7-5-8-12-23)36-30(38-31)24-13-9-6-10-14-24;28-24-16-15-22(29)17-23(24)18-11-13-21(14-12-18)27-31-25(19-7-3-1-4-8-19)30-26(32-27)20-9-5-2-6-10-20;1-2-4-5-3-1/h5-21H,1-4H3;1-17H;1-4H2
• InChIKey: LBTNFPQOVBMDCZ-UHFFFAOYSA-N
• XLogP: 16.24
• TPSA: 105.03 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1116.80
LogP ≤ 5	16.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[4-(2-bromo-5-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;oxolane (CID 159304628) is 2-[4-(2-bromo-5-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;oxolane.

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

The canonical SMILES for 2-[4-(2-bromo-5-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;oxolane is C1CCOC1.CC1(C)OB(c2ccc(Cl)cc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)OC1(C)C.Clc1ccc(Br)c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c1.

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

The InChIKey is LBTNFPQOVBMDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29BClN3O2.C27H17BrClN3.C4H8O/c1-32(2)33(3,4)40-34(39-32)28-20-19-26(35)21-27(28)22-15-17-25(18-16-22)31-37-29(23-11-7-5-8-12-23)36-30(38-31)24-13-9-6-10-14-24;28-24-16-15-22(29)17-23(24)18-11-13-21(14-12-18)27-31-25(19-7-3-1-4-8-19)30-26(32-27)20-9-5-2-6-10-20;1-2-4-5-3-1/h5-21H,1-4H3;1-17H;1-4H2.

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

2-[4-(2-bromo-5-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;oxolane has a molecular weight of 1116.80 g/mol, XLogP of 16.24, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2-bromo-5-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;oxolane is sourced from PubChem (CID 159304628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).