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

C60H46BBr2Cl2IN6O2 — CID 159928666

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

1-bromo-4-chloro-2-iodobenzene;2-[2-(2-bromo-5-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine (PubChem CID 159928666) has the molecular formula C60H46BBr2Cl2IN6O2 and a molecular weight of 1251.50 g/mol. Its IUPAC name is 1-bromo-4-chloro-2-iodobenzene;2-[2-(2-bromo-5-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 1-bromo-4-chloro-2-iodobenzene;2-[2-(2-bromo-5-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
• PubChem CID: 159928666
• Molecular Formula: C60H46BBr2Cl2IN6O2
• Molecular Weight: 1251.50 g/mol
• Exact Mass: 1248.06
• IUPAC Name: 1-bromo-4-chloro-2-iodobenzene;2-[2-(2-bromo-5-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
• SMILES: CC1(C)OB(c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)OC1(C)C.Clc1ccc(Br)c(-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Clc1ccc(Br)c(I)c1
• InChI: InChI=1S/C27H26BN3O2.C27H17BrClN3.C6H3BrClI/c1-26(2)27(3,4)33-28(32-26)22-18-12-11-17-21(22)25-30-23(19-13-7-5-8-14-19)29-24(31-25)20-15-9-6-10-16-20;28-24-16-15-20(29)17-23(24)21-13-7-8-14-22(21)27-31-25(18-9-3-1-4-10-18)30-26(32-27)19-11-5-2-6-12-19;7-5-2-1-4(8)3-6(5)9/h5-18H,1-4H3;1-17H;1-3H
• InChIKey: NZIVGIUFENXSMI-UHFFFAOYSA-N
• XLogP: 16.83
• TPSA: 95.80 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1251.50
LogP ≤ 5	16.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 1-bromo-4-chloro-2-iodobenzene;2-[2-(2-bromo-5-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine (CID 159928666) is 1-bromo-4-chloro-2-iodobenzene;2-[2-(2-bromo-5-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine.

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

The canonical SMILES for 1-bromo-4-chloro-2-iodobenzene;2-[2-(2-bromo-5-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine is CC1(C)OB(c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)OC1(C)C.Clc1ccc(Br)c(-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Clc1ccc(Br)c(I)c1.

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

The InChIKey is NZIVGIUFENXSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26BN3O2.C27H17BrClN3.C6H3BrClI/c1-26(2)27(3,4)33-28(32-26)22-18-12-11-17-21(22)25-30-23(19-13-7-5-8-14-19)29-24(31-25)20-15-9-6-10-16-20;28-24-16-15-20(29)17-23(24)21-13-7-8-14-22(21)27-31-25(18-9-3-1-4-10-18)30-26(32-27)19-11-5-2-6-12-19;7-5-2-1-4(8)3-6(5)9/h5-18H,1-4H3;1-17H;1-3H.

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

1-bromo-4-chloro-2-iodobenzene;2-[2-(2-bromo-5-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine has a molecular weight of 1251.50 g/mol, XLogP of 16.83, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-4-chloro-2-iodobenzene;2-[2-(2-bromo-5-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 159928666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).