dichloropalladium;3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;oxolan-3-ylboronic acid;bis(triphenylphosphane)

C67H56BCl2IN6O6P2PdS — CID 158359007

About dichloropalladium;3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;oxolan-3-ylboronic acid;bis(triphenylphosphane)

dichloropalladium;3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;oxolan-3-ylboronic acid;bis(triphenylphosphane) (PubChem CID 158359007) has the molecular formula C67H56BCl2IN6O6P2PdS and a molecular weight of 1450.28 g/mol. Its IUPAC name is dichloropalladium;3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;oxolan-3-ylboronic acid;bis(triphenylphosphane).

Molecular Properties

• Compound Name: dichloropalladium;3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;oxolan-3-ylboronic acid;bis(triphenylphosphane)
• PubChem CID: 158359007
• Molecular Formula: C67H56BCl2IN6O6P2PdS
• Molecular Weight: 1450.28 g/mol
• Exact Mass: 1448.10
• IUPAC Name: dichloropalladium;3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;oxolan-3-ylboronic acid;bis(triphenylphosphane)
• SMILES: Cl[Pd]Cl.Cn1cc(-c2ccoc2)c2cc(C#N)cnc21.N#Cc1cnc2c(c1)c(I)cn2OOSc1ccccc1.OB(O)C1CCOC1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/2C18H15P.C14H8IN3O2S.C13H9N3O.C4H9BO3.2ClH.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;15-13-9-18(14-12(13)6-10(7-16)8-17-14)19-20-21-11-4-2-1-3-5-11;1-16-7-12(10-2-3-17-8-10)11-4-9(5-14)6-15-13(11)16;6-5(7)4-1-2-8-3-4;;;/h2*1-15H;1-6,8-9H;2-4,6-8H,1H3;4,6-7H,1-3H2;2*1H;/q;;;;;;;+2/p-2
• InChIKey: GTFWFDQSRKSETQ-UHFFFAOYSA-L
• XLogP: 13.80
• TPSA: 164.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1450.28
LogP ≤ 5	13.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dichloropalladium;3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;oxolan-3-ylboronic acid;bis(triphenylphosphane)?

The IUPAC name of dichloropalladium;3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;oxolan-3-ylboronic acid;bis(triphenylphosphane) (CID 158359007) is dichloropalladium;3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;oxolan-3-ylboronic acid;bis(triphenylphosphane).

What is the SMILES notation for dichloropalladium;3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;oxolan-3-ylboronic acid;bis(triphenylphosphane)?

The canonical SMILES for dichloropalladium;3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;oxolan-3-ylboronic acid;bis(triphenylphosphane) is Cl[Pd]Cl.Cn1cc(-c2ccoc2)c2cc(C#N)cnc21.N#Cc1cnc2c(c1)c(I)cn2OOSc1ccccc1.OB(O)C1CCOC1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of dichloropalladium;3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;oxolan-3-ylboronic acid;bis(triphenylphosphane)?

The InChIKey is GTFWFDQSRKSETQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H15P.C14H8IN3O2S.C13H9N3O.C4H9BO3.2ClH.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;15-13-9-18(14-12(13)6-10(7-16)8-17-14)19-20-21-11-4-2-1-3-5-11;1-16-7-12(10-2-3-17-8-10)11-4-9(5-14)6-15-13(11)16;6-5(7)4-1-2-8-3-4;;;/h2*1-15H;1-6,8-9H;2-4,6-8H,1H3;4,6-7H,1-3H2;2*1H;/q;;;;;;;+2/p-2.

What are the key properties of dichloropalladium;3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;oxolan-3-ylboronic acid;bis(triphenylphosphane)?

dichloropalladium;3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;oxolan-3-ylboronic acid;bis(triphenylphosphane) has a molecular weight of 1450.28 g/mol, XLogP of 13.80, 12 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for dichloropalladium;3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;oxolan-3-ylboronic acid;bis(triphenylphosphane) is sourced from PubChem (CID 158359007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).