2-(3-bromophenyl)pyridine;4-tert-butyl-N-(4-tert-butylphenyl)aniline;2-[3-(3,5-dibromophenyl)phenyl]pyridine;1-N,1-N,3-N,3-N-tetrakis(4-tert-butylphenyl)-5-(3-pyridin-2-ylphenyl)benzene-1,3-diamine;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,3,5-tribromobenzene

C140H156B3Br6N7O6 — CID 158417372

About 2-(3-bromophenyl)pyridine;4-tert-butyl-N-(4-tert-butylphenyl)aniline;2-[3-(3,5-dibromophenyl)phenyl]pyridine;1-N,1-N,3-N,3-N-tetrakis(4-tert-butylphenyl)-5-(3-pyridin-2-ylphenyl)benzene-1,3-diamine;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,3,5-tribromobenzene

2-(3-bromophenyl)pyridine;4-tert-butyl-N-(4-tert-butylphenyl)aniline;2-[3-(3,5-dibromophenyl)phenyl]pyridine;1-N,1-N,3-N,3-N-tetrakis(4-tert-butylphenyl)-5-(3-pyridin-2-ylphenyl)benzene-1,3-diamine;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,3,5-tribromobenzene (PubChem CID 158417372) has the molecular formula C140H156B3Br6N7O6 and a molecular weight of 2544.69 g/mol. Its IUPAC name is 2-(3-bromophenyl)pyridine;4-tert-butyl-N-(4-tert-butylphenyl)aniline;2-[3-(3,5-dibromophenyl)phenyl]pyridine;1-N,1-N,3-N,3-N-tetrakis(4-tert-butylphenyl)-5-(3-pyridin-2-ylphenyl)benzene-1,3-diamine;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,3,5-tribromobenzene.

Molecular Properties

• Compound Name: 2-(3-bromophenyl)pyridine;4-tert-butyl-N-(4-tert-butylphenyl)aniline;2-[3-(3,5-dibromophenyl)phenyl]pyridine;1-N,1-N,3-N,3-N-tetrakis(4-tert-butylphenyl)-5-(3-pyridin-2-ylphenyl)benzene-1,3-diamine;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,3,5-tribromobenzene
• PubChem CID: 158417372
• Molecular Formula: C140H156B3Br6N7O6
• Molecular Weight: 2544.69 g/mol
• Exact Mass: 2537.75
• IUPAC Name: 2-(3-bromophenyl)pyridine;4-tert-butyl-N-(4-tert-butylphenyl)aniline;2-[3-(3,5-dibromophenyl)phenyl]pyridine;1-N,1-N,3-N,3-N-tetrakis(4-tert-butylphenyl)-5-(3-pyridin-2-ylphenyl)benzene-1,3-diamine;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,3,5-tribromobenzene
• SMILES: Brc1cc(Br)cc(-c2cccc(-c3ccccn3)c2)c1.Brc1cc(Br)cc(Br)c1.Brc1cccc(-c2ccccn2)c1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc(-c3cccc(-c4ccccn4)c3)cc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)c2)cc1.CC(C)(C)c1ccc(Nc2ccc(C(C)(C)C)cc2)cc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cccc(-c3ccccn3)c2)OC1(C)C
• InChI: InChI=1S/C57H63N3.C20H27N.C17H20BNO2.C17H11Br2N.C12H24B2O4.C11H8BrN.C6H3Br3/c1-54(2,3)43-19-27-47(28-20-43)59(48-29-21-44(22-30-48)55(4,5)6)51-37-42(40-16-15-17-41(36-40)53-18-13-14-35-58-53)38-52(39-51)60(49-31-23-45(24-32-49)56(7,8)9)50-33-25-46(26-34-50)57(10,11)12;1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;1-16(2)17(3,4)21-18(20-16)14-9-7-8-13(12-14)15-10-5-6-11-19-15;18-15-9-14(10-16(19)11-15)12-4-3-5-13(8-12)17-6-1-2-7-20-17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;12-10-5-3-4-9(8-10)11-6-1-2-7-13-11;7-4-1-5(8)3-6(9)2-4/h13-39H,1-12H3;7-14,21H,1-6H3;5-12H,1-4H3;1-11H;1-8H3;1-8H;1-3H
• InChIKey: HABIJCMLKVUCRN-UHFFFAOYSA-N
• XLogP: 41.29
• TPSA: 125.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2544.69
LogP ≤ 5	41.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)pyridine;4-tert-butyl-N-(4-tert-butylphenyl)aniline;2-[3-(3,5-dibromophenyl)phenyl]pyridine;1-N,1-N,3-N,3-N-tetrakis(4-tert-butylphenyl)-5-(3-pyridin-2-ylphenyl)benzene-1,3-diamine;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,3,5-tribromobenzene?

The IUPAC name of 2-(3-bromophenyl)pyridine;4-tert-butyl-N-(4-tert-butylphenyl)aniline;2-[3-(3,5-dibromophenyl)phenyl]pyridine;1-N,1-N,3-N,3-N-tetrakis(4-tert-butylphenyl)-5-(3-pyridin-2-ylphenyl)benzene-1,3-diamine;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,3,5-tribromobenzene (CID 158417372) is 2-(3-bromophenyl)pyridine;4-tert-butyl-N-(4-tert-butylphenyl)aniline;2-[3-(3,5-dibromophenyl)phenyl]pyridine;1-N,1-N,3-N,3-N-tetrakis(4-tert-butylphenyl)-5-(3-pyridin-2-ylphenyl)benzene-1,3-diamine;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,3,5-tribromobenzene.

What is the SMILES notation for 2-(3-bromophenyl)pyridine;4-tert-butyl-N-(4-tert-butylphenyl)aniline;2-[3-(3,5-dibromophenyl)phenyl]pyridine;1-N,1-N,3-N,3-N-tetrakis(4-tert-butylphenyl)-5-(3-pyridin-2-ylphenyl)benzene-1,3-diamine;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,3,5-tribromobenzene?

The canonical SMILES for 2-(3-bromophenyl)pyridine;4-tert-butyl-N-(4-tert-butylphenyl)aniline;2-[3-(3,5-dibromophenyl)phenyl]pyridine;1-N,1-N,3-N,3-N-tetrakis(4-tert-butylphenyl)-5-(3-pyridin-2-ylphenyl)benzene-1,3-diamine;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,3,5-tribromobenzene is Brc1cc(Br)cc(-c2cccc(-c3ccccn3)c2)c1.Brc1cc(Br)cc(Br)c1.Brc1cccc(-c2ccccn2)c1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc(-c3cccc(-c4ccccn4)c3)cc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)c2)cc1.CC(C)(C)c1ccc(Nc2ccc(C(C)(C)C)cc2)cc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cccc(-c3ccccn3)c2)OC1(C)C.

What is the InChIKey of 2-(3-bromophenyl)pyridine;4-tert-butyl-N-(4-tert-butylphenyl)aniline;2-[3-(3,5-dibromophenyl)phenyl]pyridine;1-N,1-N,3-N,3-N-tetrakis(4-tert-butylphenyl)-5-(3-pyridin-2-ylphenyl)benzene-1,3-diamine;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,3,5-tribromobenzene?

The InChIKey is HABIJCMLKVUCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H63N3.C20H27N.C17H20BNO2.C17H11Br2N.C12H24B2O4.C11H8BrN.C6H3Br3/c1-54(2,3)43-19-27-47(28-20-43)59(48-29-21-44(22-30-48)55(4,5)6)51-37-42(40-16-15-17-41(36-40)53-18-13-14-35-58-53)38-52(39-51)60(49-31-23-45(24-32-49)56(7,8)9)50-33-25-46(26-34-50)57(10,11)12;1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;1-16(2)17(3,4)21-18(20-16)14-9-7-8-13(12-14)15-10-5-6-11-19-15;18-15-9-14(10-16(19)11-15)12-4-3-5-13(8-12)17-6-1-2-7-20-17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;12-10-5-3-4-9(8-10)11-6-1-2-7-13-11;7-4-1-5(8)3-6(9)2-4/h13-39H,1-12H3;7-14,21H,1-6H3;5-12H,1-4H3;1-11H;1-8H3;1-8H;1-3H.

What are the key properties of 2-(3-bromophenyl)pyridine;4-tert-butyl-N-(4-tert-butylphenyl)aniline;2-[3-(3,5-dibromophenyl)phenyl]pyridine;1-N,1-N,3-N,3-N-tetrakis(4-tert-butylphenyl)-5-(3-pyridin-2-ylphenyl)benzene-1,3-diamine;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,3,5-tribromobenzene?

2-(3-bromophenyl)pyridine;4-tert-butyl-N-(4-tert-butylphenyl)aniline;2-[3-(3,5-dibromophenyl)phenyl]pyridine;1-N,1-N,3-N,3-N-tetrakis(4-tert-butylphenyl)-5-(3-pyridin-2-ylphenyl)benzene-1,3-diamine;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,3,5-tribromobenzene has a molecular weight of 2544.69 g/mol, XLogP of 41.29, 16 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-bromophenyl)pyridine;4-tert-butyl-N-(4-tert-butylphenyl)aniline;2-[3-(3,5-dibromophenyl)phenyl]pyridine;1-N,1-N,3-N,3-N-tetrakis(4-tert-butylphenyl)-5-(3-pyridin-2-ylphenyl)benzene-1,3-diamine;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,3,5-tribromobenzene is sourced from PubChem (CID 158417372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).