4-tert-butyl-2-chloropyridine;4-tert-butyl-2-(4-cyclohexylnaphthalen-2-yl)pyridine;2-(4-cyclohexylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;dichloropalladium;bis(triphenylphosphane)

C92H100BCl3N2O2P2Pd — CID 157370501

About 4-tert-butyl-2-chloropyridine;4-tert-butyl-2-(4-cyclohexylnaphthalen-2-yl)pyridine;2-(4-cyclohexylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;dichloropalladium;bis(triphenylphosphane)

4-tert-butyl-2-chloropyridine;4-tert-butyl-2-(4-cyclohexylnaphthalen-2-yl)pyridine;2-(4-cyclohexylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;dichloropalladium;bis(triphenylphosphane) (PubChem CID 157370501) has the molecular formula C92H100BCl3N2O2P2Pd and a molecular weight of 1551.36 g/mol. Its IUPAC name is 4-tert-butyl-2-chloropyridine;4-tert-butyl-2-(4-cyclohexylnaphthalen-2-yl)pyridine;2-(4-cyclohexylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;dichloropalladium;bis(triphenylphosphane).

Molecular Properties

• Compound Name: 4-tert-butyl-2-chloropyridine;4-tert-butyl-2-(4-cyclohexylnaphthalen-2-yl)pyridine;2-(4-cyclohexylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;dichloropalladium;bis(triphenylphosphane)
• PubChem CID: 157370501
• Molecular Formula: C92H100BCl3N2O2P2Pd
• Molecular Weight: 1551.36 g/mol
• Exact Mass: 1548.55
• IUPAC Name: 4-tert-butyl-2-chloropyridine;4-tert-butyl-2-(4-cyclohexylnaphthalen-2-yl)pyridine;2-(4-cyclohexylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;dichloropalladium;bis(triphenylphosphane)
• SMILES: CC(C)(C)c1ccnc(-c2cc(C3CCCCC3)c3ccccc3c2)c1.CC(C)(C)c1ccnc(Cl)c1.CC1(C)OB(c2cc(C3CCCCC3)c3ccccc3c2)OC1(C)C.Cl[Pd]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C25H29N.C22H29BO2.2C18H15P.C9H12ClN.2ClH.Pd/c1-25(2,3)21-13-14-26-24(17-21)20-15-19-11-7-8-12-22(19)23(16-20)18-9-5-4-6-10-18;1-21(2)22(3,4)25-23(24-21)18-14-17-12-8-9-13-19(17)20(15-18)16-10-6-5-7-11-16;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(2,3)7-4-5-11-8(10)6-7;;;/h7-8,11-18H,4-6,9-10H2,1-3H3;8-9,12-16H,5-7,10-11H2,1-4H3;2*1-15H;4-6H,1-3H3;2*1H;/q;;;;;;;+2/p-2
• InChIKey: BJRYUXFJUDSALS-UHFFFAOYSA-L
• XLogP: 23.73
• TPSA: 44.24 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1551.36
LogP ≤ 5	23.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-chloropyridine;4-tert-butyl-2-(4-cyclohexylnaphthalen-2-yl)pyridine;2-(4-cyclohexylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;dichloropalladium;bis(triphenylphosphane)?

The IUPAC name of 4-tert-butyl-2-chloropyridine;4-tert-butyl-2-(4-cyclohexylnaphthalen-2-yl)pyridine;2-(4-cyclohexylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;dichloropalladium;bis(triphenylphosphane) (CID 157370501) is 4-tert-butyl-2-chloropyridine;4-tert-butyl-2-(4-cyclohexylnaphthalen-2-yl)pyridine;2-(4-cyclohexylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;dichloropalladium;bis(triphenylphosphane).

What is the SMILES notation for 4-tert-butyl-2-chloropyridine;4-tert-butyl-2-(4-cyclohexylnaphthalen-2-yl)pyridine;2-(4-cyclohexylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;dichloropalladium;bis(triphenylphosphane)?

The canonical SMILES for 4-tert-butyl-2-chloropyridine;4-tert-butyl-2-(4-cyclohexylnaphthalen-2-yl)pyridine;2-(4-cyclohexylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;dichloropalladium;bis(triphenylphosphane) is CC(C)(C)c1ccnc(-c2cc(C3CCCCC3)c3ccccc3c2)c1.CC(C)(C)c1ccnc(Cl)c1.CC1(C)OB(c2cc(C3CCCCC3)c3ccccc3c2)OC1(C)C.Cl[Pd]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 4-tert-butyl-2-chloropyridine;4-tert-butyl-2-(4-cyclohexylnaphthalen-2-yl)pyridine;2-(4-cyclohexylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;dichloropalladium;bis(triphenylphosphane)?

The InChIKey is BJRYUXFJUDSALS-UHFFFAOYSA-L. The full InChI is InChI=1S/C25H29N.C22H29BO2.2C18H15P.C9H12ClN.2ClH.Pd/c1-25(2,3)21-13-14-26-24(17-21)20-15-19-11-7-8-12-22(19)23(16-20)18-9-5-4-6-10-18;1-21(2)22(3,4)25-23(24-21)18-14-17-12-8-9-13-19(17)20(15-18)16-10-6-5-7-11-16;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(2,3)7-4-5-11-8(10)6-7;;;/h7-8,11-18H,4-6,9-10H2,1-3H3;8-9,12-16H,5-7,10-11H2,1-4H3;2*1-15H;4-6H,1-3H3;2*1H;/q;;;;;;;+2/p-2.

What are the key properties of 4-tert-butyl-2-chloropyridine;4-tert-butyl-2-(4-cyclohexylnaphthalen-2-yl)pyridine;2-(4-cyclohexylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;dichloropalladium;bis(triphenylphosphane)?

4-tert-butyl-2-chloropyridine;4-tert-butyl-2-(4-cyclohexylnaphthalen-2-yl)pyridine;2-(4-cyclohexylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;dichloropalladium;bis(triphenylphosphane) has a molecular weight of 1551.36 g/mol, XLogP of 23.73, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-chloropyridine;4-tert-butyl-2-(4-cyclohexylnaphthalen-2-yl)pyridine;2-(4-cyclohexylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;dichloropalladium;bis(triphenylphosphane) is sourced from PubChem (CID 157370501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).