4-(4-tert-butyl-2,6-dimethylphenyl)-2-chloropyridine;2-[3-[4-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine;4-(3,5-ditert-butylphenyl)-2-(2-methoxyphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine

C104H120BClN4O4 — CID 159470075

About 4-(4-tert-butyl-2,6-dimethylphenyl)-2-chloropyridine;2-[3-[4-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine;4-(3,5-ditert-butylphenyl)-2-(2-methoxyphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine

4-(4-tert-butyl-2,6-dimethylphenyl)-2-chloropyridine;2-[3-[4-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine;4-(3,5-ditert-butylphenyl)-2-(2-methoxyphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine (PubChem CID 159470075) has the molecular formula C104H120BClN4O4 and a molecular weight of 1536.39 g/mol. Its IUPAC name is 4-(4-tert-butyl-2,6-dimethylphenyl)-2-chloropyridine;2-[3-[4-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine;4-(3,5-ditert-butylphenyl)-2-(2-methoxyphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine.

Molecular Properties

• Compound Name: 4-(4-tert-butyl-2,6-dimethylphenyl)-2-chloropyridine;2-[3-[4-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine;4-(3,5-ditert-butylphenyl)-2-(2-methoxyphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
• PubChem CID: 159470075
• Molecular Formula: C104H120BClN4O4
• Molecular Weight: 1536.39 g/mol
• Exact Mass: 1534.91
• IUPAC Name: 4-(4-tert-butyl-2,6-dimethylphenyl)-2-chloropyridine;2-[3-[4-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine;4-(3,5-ditert-butylphenyl)-2-(2-methoxyphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
• SMILES: COc1ccccc1-c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(-c2cccc(-c3cc(-c4c(C)cc(C(C)(C)C)cc4C)ccn3)c2)n1.COc1ccccc1-c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(-c2cccc(B3OC(C)(C)C(C)(C)O3)c2)n1.Cc1cc(C(C)(C)C)cc(C)c1-c1ccnc(Cl)c1
• InChI: InChI=1S/C49H54N2O.C38H46BNO3.C17H20ClN/c1-31-22-38(47(3,4)5)23-32(2)46(31)35-20-21-50-42(27-35)33-16-15-17-34(24-33)43-28-37(29-44(51-43)41-18-13-14-19-45(41)52-12)36-25-39(48(6,7)8)30-40(26-36)49(9,10)11;1-35(2,3)28-19-26(20-29(24-28)36(4,5)6)27-22-32(40-33(23-27)31-17-12-13-18-34(31)41-11)25-15-14-16-30(21-25)39-42-37(7,8)38(9,10)43-39;1-11-8-14(17(3,4)5)9-12(2)16(11)13-6-7-19-15(18)10-13/h13-30H,1-12H3;12-24H,1-11H3;6-10H,1-5H3
• InChIKey: LVROGGQQPWTQHY-UHFFFAOYSA-N
• XLogP: 27.63
• TPSA: 88.48 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1536.39
LogP ≤ 5	27.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-2,6-dimethylphenyl)-2-chloropyridine;2-[3-[4-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine;4-(3,5-ditert-butylphenyl)-2-(2-methoxyphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine?

The IUPAC name of 4-(4-tert-butyl-2,6-dimethylphenyl)-2-chloropyridine;2-[3-[4-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine;4-(3,5-ditert-butylphenyl)-2-(2-methoxyphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine (CID 159470075) is 4-(4-tert-butyl-2,6-dimethylphenyl)-2-chloropyridine;2-[3-[4-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine;4-(3,5-ditert-butylphenyl)-2-(2-methoxyphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine.

What is the SMILES notation for 4-(4-tert-butyl-2,6-dimethylphenyl)-2-chloropyridine;2-[3-[4-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine;4-(3,5-ditert-butylphenyl)-2-(2-methoxyphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine?

The canonical SMILES for 4-(4-tert-butyl-2,6-dimethylphenyl)-2-chloropyridine;2-[3-[4-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine;4-(3,5-ditert-butylphenyl)-2-(2-methoxyphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine is COc1ccccc1-c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(-c2cccc(-c3cc(-c4c(C)cc(C(C)(C)C)cc4C)ccn3)c2)n1.COc1ccccc1-c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(-c2cccc(B3OC(C)(C)C(C)(C)O3)c2)n1.Cc1cc(C(C)(C)C)cc(C)c1-c1ccnc(Cl)c1.

What is the InChIKey of 4-(4-tert-butyl-2,6-dimethylphenyl)-2-chloropyridine;2-[3-[4-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine;4-(3,5-ditert-butylphenyl)-2-(2-methoxyphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine?

The InChIKey is LVROGGQQPWTQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H54N2O.C38H46BNO3.C17H20ClN/c1-31-22-38(47(3,4)5)23-32(2)46(31)35-20-21-50-42(27-35)33-16-15-17-34(24-33)43-28-37(29-44(51-43)41-18-13-14-19-45(41)52-12)36-25-39(48(6,7)8)30-40(26-36)49(9,10)11;1-35(2,3)28-19-26(20-29(24-28)36(4,5)6)27-22-32(40-33(23-27)31-17-12-13-18-34(31)41-11)25-15-14-16-30(21-25)39-42-37(7,8)38(9,10)43-39;1-11-8-14(17(3,4)5)9-12(2)16(11)13-6-7-19-15(18)10-13/h13-30H,1-12H3;12-24H,1-11H3;6-10H,1-5H3.

What are the key properties of 4-(4-tert-butyl-2,6-dimethylphenyl)-2-chloropyridine;2-[3-[4-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine;4-(3,5-ditert-butylphenyl)-2-(2-methoxyphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine?

4-(4-tert-butyl-2,6-dimethylphenyl)-2-chloropyridine;2-[3-[4-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine;4-(3,5-ditert-butylphenyl)-2-(2-methoxyphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine has a molecular weight of 1536.39 g/mol, XLogP of 27.63, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-tert-butyl-2,6-dimethylphenyl)-2-chloropyridine;2-[3-[4-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine;4-(3,5-ditert-butylphenyl)-2-(2-methoxyphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine is sourced from PubChem (CID 159470075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).