3-bromo-2,6-dimethylpyridine;2-[3-(3,5-ditert-butylphenyl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(3,5-ditert-butylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;oxolane

C94H104BBrN8O3 — CID 157055872

About 3-bromo-2,6-dimethylpyridine;2-[3-(3,5-ditert-butylphenyl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(3,5-ditert-butylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;oxolane

3-bromo-2,6-dimethylpyridine;2-[3-(3,5-ditert-butylphenyl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(3,5-ditert-butylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;oxolane (PubChem CID 157055872) has the molecular formula C94H104BBrN8O3 and a molecular weight of 1484.63 g/mol. Its IUPAC name is 3-bromo-2,6-dimethylpyridine;2-[3-(3,5-ditert-butylphenyl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(3,5-ditert-butylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;oxolane.

Molecular Properties

• Compound Name: 3-bromo-2,6-dimethylpyridine;2-[3-(3,5-ditert-butylphenyl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(3,5-ditert-butylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;oxolane
• PubChem CID: 157055872
• Molecular Formula: C94H104BBrN8O3
• Molecular Weight: 1484.63 g/mol
• Exact Mass: 1482.75
• IUPAC Name: 3-bromo-2,6-dimethylpyridine;2-[3-(3,5-ditert-butylphenyl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(3,5-ditert-butylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;oxolane
• SMILES: C1CCOC1.CC(C)(C)c1cc(-c2cc(B3OC(C)(C)C(C)(C)O3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc(C(C)(C)C)c1.Cc1ccc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c(C)n1.Cc1ccc(Br)c(C)n1
• InChI: InChI=1S/C42H42N4.C41H46BN3O2.C7H8BrN.C4H8O/c1-27-19-20-37(28(2)43-27)33-21-31(32-24-35(41(3,4)5)26-36(25-32)42(6,7)8)22-34(23-33)40-45-38(29-15-11-9-12-16-29)44-39(46-40)30-17-13-10-14-18-30;1-38(2,3)32-22-30(23-33(26-32)39(4,5)6)29-21-31(25-34(24-29)42-46-40(7,8)41(9,10)47-42)37-44-35(27-17-13-11-14-18-27)43-36(45-37)28-19-15-12-16-20-28;1-5-3-4-7(8)6(2)9-5;1-2-4-5-3-1/h9-26H,1-8H3;11-26H,1-10H3;3-4H,1-2H3;1-4H2
• InChIKey: AATCJHMUJONHSR-UHFFFAOYSA-N
• XLogP: 23.50
• TPSA: 130.81 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1484.63
LogP ≤ 5	23.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-bromo-2,6-dimethylpyridine;2-[3-(3,5-ditert-butylphenyl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(3,5-ditert-butylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;oxolane (CID 157055872) is 3-bromo-2,6-dimethylpyridine;2-[3-(3,5-ditert-butylphenyl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(3,5-ditert-butylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;oxolane.

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

The canonical SMILES for 3-bromo-2,6-dimethylpyridine;2-[3-(3,5-ditert-butylphenyl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(3,5-ditert-butylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;oxolane is C1CCOC1.CC(C)(C)c1cc(-c2cc(B3OC(C)(C)C(C)(C)O3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc(C(C)(C)C)c1.Cc1ccc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c(C)n1.Cc1ccc(Br)c(C)n1.

What is the InChIKey of 3-bromo-2,6-dimethylpyridine;2-[3-(3,5-ditert-butylphenyl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(3,5-ditert-butylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;oxolane?

The InChIKey is AATCJHMUJONHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H42N4.C41H46BN3O2.C7H8BrN.C4H8O/c1-27-19-20-37(28(2)43-27)33-21-31(32-24-35(41(3,4)5)26-36(25-32)42(6,7)8)22-34(23-33)40-45-38(29-15-11-9-12-16-29)44-39(46-40)30-17-13-10-14-18-30;1-38(2,3)32-22-30(23-33(26-32)39(4,5)6)29-21-31(25-34(24-29)42-46-40(7,8)41(9,10)47-42)37-44-35(27-17-13-11-14-18-27)43-36(45-37)28-19-15-12-16-20-28;1-5-3-4-7(8)6(2)9-5;1-2-4-5-3-1/h9-26H,1-8H3;11-26H,1-10H3;3-4H,1-2H3;1-4H2.

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

3-bromo-2,6-dimethylpyridine;2-[3-(3,5-ditert-butylphenyl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(3,5-ditert-butylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;oxolane has a molecular weight of 1484.63 g/mol, XLogP of 23.50, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-2,6-dimethylpyridine;2-[3-(3,5-ditert-butylphenyl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(3,5-ditert-butylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;oxolane is sourced from PubChem (CID 157055872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).