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

C74H62BCl2IN6O8P2PdS2 — CID 159942259

IUPACdichloropalladium;furan-3-ylboronic acid;3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;methane;bis(triphenylphosphane)
SMILESC.C.Cl[Pd]Cl.N#Cc1cnc2c(c1)c(-c1ccoc1)cn2OOSc1ccccc1.N#Cc1cnc2c(c1)c(I)cn2OOSc1ccccc1.OB(O)c1ccoc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H11N3O3S.2C18H15P.C14H8IN3O2S.C4H5BO3.2CH4.2ClH.Pd/c19-9-13-8-16-17(14-6-7-22-12-14)11-21(18(16)20-10-13)23-24-25-15-4-2-1-3-5-15;2*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;6-5(7)4-1-2-8-3-4;;;;;/h1-8,10-12H;2*1-15H;1-6,8-9H;1-3,6-7H;2*1H4;2*1H;/q;;;;;;;;;+2/p-2
InChIKeyOBAKXVQPPIBBQA-UHFFFAOYSA-L
MW1604.47 g/mol
LogP16.31
Rot. Bonds16

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

dichloropalladium;furan-3-ylboronic acid;3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;methane;bis(triphenylphosphane) (PubChem CID 159942259) has the molecular formula C74H62BCl2IN6O8P2PdS2 and a molecular weight of 1604.47 g/mol. Its IUPAC name is dichloropalladium;furan-3-ylboronic acid;3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;methane;bis(triphenylphosphane).

Molecular Properties

Compound Namedichloropalladium;furan-3-ylboronic acid;3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;methane;bis(triphenylphosphane)
PubChem CID159942259
Molecular FormulaC74H62BCl2IN6O8P2PdS2
Molecular Weight1604.47 g/mol
Exact Mass1602.11
IUPAC Namedichloropalladium;furan-3-ylboronic acid;3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;methane;bis(triphenylphosphane)
SMILESC.C.Cl[Pd]Cl.N#Cc1cnc2c(c1)c(-c1ccoc1)cn2OOSc1ccccc1.N#Cc1cnc2c(c1)c(I)cn2OOSc1ccccc1.OB(O)c1ccoc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H11N3O3S.2C18H15P.C14H8IN3O2S.C4H5BO3.2CH4.2ClH.Pd/c19-9-13-8-16-17(14-6-7-22-12-14)11-21(18(16)20-10-13)23-24-25-15-4-2-1-3-5-15;2*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;6-5(7)4-1-2-8-3-4;;;;;/h1-8,10-12H;2*1-15H;1-6,8-9H;1-3,6-7H;2*1H4;2*1H;/q;;;;;;;;;+2/p-2
InChIKeyOBAKXVQPPIBBQA-UHFFFAOYSA-L
XLogP16.31
TPSA186.88 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001604.47
LogP ≤ 516.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

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'}

Analyze dichloropalladium;furan-3-ylboronic acid;3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;methane;bis(triphenylphosphane) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile
CID 59812065
Ethanol;ethyl 3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboximidate;3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;methane;dihydrochloride
CID 158013697
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
Ethanol;ethyl 3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboximidate;3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;iodomethane
CID 158377200
Ethyl 3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboxylate;furan-3-ylboronic acid
CID 158555346
CID 158743167
CID 158743167
CID 159018806
CID 159018806
Dichloropalladium;furan-3-ylboronic acid;3-(furan-3-yl)-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;bis(triphenylphosphane)
CID 160154195

Frequently Asked Questions

What is the IUPAC name of dichloropalladium;furan-3-ylboronic acid;3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;methane;bis(triphenylphosphane)?
The IUPAC name of dichloropalladium;furan-3-ylboronic acid;3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;methane;bis(triphenylphosphane) (CID 159942259) is dichloropalladium;furan-3-ylboronic acid;3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;methane;bis(triphenylphosphane).
What is the SMILES notation for dichloropalladium;furan-3-ylboronic acid;3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;methane;bis(triphenylphosphane)?
The canonical SMILES for dichloropalladium;furan-3-ylboronic acid;3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;methane;bis(triphenylphosphane) is C.C.Cl[Pd]Cl.N#Cc1cnc2c(c1)c(-c1ccoc1)cn2OOSc1ccccc1.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;furan-3-ylboronic acid;3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;methane;bis(triphenylphosphane)?
The InChIKey is OBAKXVQPPIBBQA-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H11N3O3S.2C18H15P.C14H8IN3O2S.C4H5BO3.2CH4.2ClH.Pd/c19-9-13-8-16-17(14-6-7-22-12-14)11-21(18(16)20-10-13)23-24-25-15-4-2-1-3-5-15;2*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;6-5(7)4-1-2-8-3-4;;;;;/h1-8,10-12H;2*1-15H;1-6,8-9H;1-3,6-7H;2*1H4;2*1H;/q;;;;;;;;;+2/p-2.
What are the key properties of dichloropalladium;furan-3-ylboronic acid;3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;methane;bis(triphenylphosphane)?
dichloropalladium;furan-3-ylboronic acid;3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;methane;bis(triphenylphosphane) has a molecular weight of 1604.47 g/mol, XLogP of 16.31, 16 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for dichloropalladium;furan-3-ylboronic acid;3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;methane;bis(triphenylphosphane) is sourced from PubChem (CID 159942259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).