dichloropalladium;ethyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(4-methylcyclohexen-1-yl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;4,4,5,5-tetramethyl-2-(4-methylcyclohexen-1-yl)-1,3,2-dioxaborolane;bis(triphenylphosphane)

C94H92BBrCl2N6O10P2PdS4 — CID 159279724

About dichloropalladium;ethyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(4-methylcyclohexen-1-yl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;4,4,5,5-tetramethyl-2-(4-methylcyclohexen-1-yl)-1,3,2-dioxaborolane;bis(triphenylphosphane)

dichloropalladium;ethyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(4-methylcyclohexen-1-yl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;4,4,5,5-tetramethyl-2-(4-methylcyclohexen-1-yl)-1,3,2-dioxaborolane;bis(triphenylphosphane) (PubChem CID 159279724) has the molecular formula C94H92BBrCl2N6O10P2PdS4 and a molecular weight of 1924.06 g/mol. Its IUPAC name is dichloropalladium;ethyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(4-methylcyclohexen-1-yl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;4,4,5,5-tetramethyl-2-(4-methylcyclohexen-1-yl)-1,3,2-dioxaborolane;bis(triphenylphosphane).

Molecular Properties

• Compound Name: dichloropalladium;ethyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(4-methylcyclohexen-1-yl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;4,4,5,5-tetramethyl-2-(4-methylcyclohexen-1-yl)-1,3,2-dioxaborolane;bis(triphenylphosphane)
• PubChem CID: 159279724
• Molecular Formula: C94H92BBrCl2N6O10P2PdS4
• Molecular Weight: 1924.06 g/mol
• Exact Mass: 1920.29
• IUPAC Name: dichloropalladium;ethyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(4-methylcyclohexen-1-yl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;4,4,5,5-tetramethyl-2-(4-methylcyclohexen-1-yl)-1,3,2-dioxaborolane;bis(triphenylphosphane)
• SMILES: CC1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CCOC(=O)c1nc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(Br)cc23)cs1.CCOC(=O)c1nc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(C4=CCC(C)CC4)cc23)cs1.Cl[Pd]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C26H25N3O4S2.C19H14BrN3O4S2.2C18H15P.C13H23BO2.2ClH.Pd/c1-3-33-26(30)25-28-23(16-34-25)22-15-29(35(31,32)20-7-5-4-6-8-20)24-21(22)13-19(14-27-24)18-11-9-17(2)10-12-18;1-2-27-19(24)18-22-16(11-28-18)15-10-23(17-14(15)8-12(20)9-21-17)29(25,26)13-6-4-3-5-7-13;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10-6-8-11(9-7-10)14-15-12(2,3)13(4,5)16-14;;;/h4-8,11,13-17H,3,9-10,12H2,1-2H3;3-11H,2H2,1H3;2*1-15H;8,10H,6-7,9H2,1-5H3;2*1H;/q;;;;;;;+2/p-2
• InChIKey: KYTLEJMDCSQKIM-UHFFFAOYSA-L
• XLogP: 21.74
• TPSA: 200.76 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1924.06
LogP ≤ 5	21.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dichloropalladium;ethyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(4-methylcyclohexen-1-yl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;4,4,5,5-tetramethyl-2-(4-methylcyclohexen-1-yl)-1,3,2-dioxaborolane;bis(triphenylphosphane)?

The IUPAC name of dichloropalladium;ethyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(4-methylcyclohexen-1-yl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;4,4,5,5-tetramethyl-2-(4-methylcyclohexen-1-yl)-1,3,2-dioxaborolane;bis(triphenylphosphane) (CID 159279724) is dichloropalladium;ethyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(4-methylcyclohexen-1-yl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;4,4,5,5-tetramethyl-2-(4-methylcyclohexen-1-yl)-1,3,2-dioxaborolane;bis(triphenylphosphane).

What is the SMILES notation for dichloropalladium;ethyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(4-methylcyclohexen-1-yl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;4,4,5,5-tetramethyl-2-(4-methylcyclohexen-1-yl)-1,3,2-dioxaborolane;bis(triphenylphosphane)?

The canonical SMILES for dichloropalladium;ethyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(4-methylcyclohexen-1-yl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;4,4,5,5-tetramethyl-2-(4-methylcyclohexen-1-yl)-1,3,2-dioxaborolane;bis(triphenylphosphane) is CC1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CCOC(=O)c1nc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(Br)cc23)cs1.CCOC(=O)c1nc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(C4=CCC(C)CC4)cc23)cs1.Cl[Pd]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of dichloropalladium;ethyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(4-methylcyclohexen-1-yl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;4,4,5,5-tetramethyl-2-(4-methylcyclohexen-1-yl)-1,3,2-dioxaborolane;bis(triphenylphosphane)?

The InChIKey is KYTLEJMDCSQKIM-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H25N3O4S2.C19H14BrN3O4S2.2C18H15P.C13H23BO2.2ClH.Pd/c1-3-33-26(30)25-28-23(16-34-25)22-15-29(35(31,32)20-7-5-4-6-8-20)24-21(22)13-19(14-27-24)18-11-9-17(2)10-12-18;1-2-27-19(24)18-22-16(11-28-18)15-10-23(17-14(15)8-12(20)9-21-17)29(25,26)13-6-4-3-5-7-13;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10-6-8-11(9-7-10)14-15-12(2,3)13(4,5)16-14;;;/h4-8,11,13-17H,3,9-10,12H2,1-2H3;3-11H,2H2,1H3;2*1-15H;8,10H,6-7,9H2,1-5H3;2*1H;/q;;;;;;;+2/p-2.

What are the key properties of dichloropalladium;ethyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(4-methylcyclohexen-1-yl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;4,4,5,5-tetramethyl-2-(4-methylcyclohexen-1-yl)-1,3,2-dioxaborolane;bis(triphenylphosphane)?

dichloropalladium;ethyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(4-methylcyclohexen-1-yl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;4,4,5,5-tetramethyl-2-(4-methylcyclohexen-1-yl)-1,3,2-dioxaborolane;bis(triphenylphosphane) has a molecular weight of 1924.06 g/mol, XLogP of 21.74, 18 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for dichloropalladium;ethyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(4-methylcyclohexen-1-yl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;4,4,5,5-tetramethyl-2-(4-methylcyclohexen-1-yl)-1,3,2-dioxaborolane;bis(triphenylphosphane) is sourced from PubChem (CID 159279724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).