dichloropalladium;3-(1,3-thiazol-2-yl)benzamide;bis(triphenylphosphane)

C46H38Cl2N2OP2PdS — CID 173081307

IUPACdichloropalladium;3-(1,3-thiazol-2-yl)benzamide;bis(triphenylphosphane)
SMILESCl[Pd]Cl.NC(=O)c1cccc(-c2nccs2)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C10H8N2OS.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;11-9(13)7-2-1-3-8(6-7)10-12-4-5-14-10;;;/h2*1-15H;1-6H,(H2,11,13);2*1H;/q;;;;;+2/p-2
InChIKeyZTEBMPOPQYEMMR-UHFFFAOYSA-L
MW906.16 g/mol
LogP10.18
Rot. Bonds8

About dichloropalladium;3-(1,3-thiazol-2-yl)benzamide;bis(triphenylphosphane)

dichloropalladium;3-(1,3-thiazol-2-yl)benzamide;bis(triphenylphosphane) (PubChem CID 173081307) has the molecular formula C46H38Cl2N2OP2PdS and a molecular weight of 906.16 g/mol. Its IUPAC name is dichloropalladium;3-(1,3-thiazol-2-yl)benzamide;bis(triphenylphosphane).

Molecular Properties

Compound Namedichloropalladium;3-(1,3-thiazol-2-yl)benzamide;bis(triphenylphosphane)
PubChem CID173081307
Molecular FormulaC46H38Cl2N2OP2PdS
Molecular Weight906.16 g/mol
Exact Mass904.06
IUPAC Namedichloropalladium;3-(1,3-thiazol-2-yl)benzamide;bis(triphenylphosphane)
SMILESCl[Pd]Cl.NC(=O)c1cccc(-c2nccs2)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C10H8N2OS.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;11-9(13)7-2-1-3-8(6-7)10-12-4-5-14-10;;;/h2*1-15H;1-6H,(H2,11,13);2*1H;/q;;;;;+2/p-2
InChIKeyZTEBMPOPQYEMMR-UHFFFAOYSA-L
XLogP10.18
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500906.16
LogP ≤ 510.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloropalladium;3-(1,3-thiazol-2-yl)benzamide;bis(triphenylphosphane)?
The IUPAC name of dichloropalladium;3-(1,3-thiazol-2-yl)benzamide;bis(triphenylphosphane) (CID 173081307) is dichloropalladium;3-(1,3-thiazol-2-yl)benzamide;bis(triphenylphosphane).
What is the SMILES notation for dichloropalladium;3-(1,3-thiazol-2-yl)benzamide;bis(triphenylphosphane)?
The canonical SMILES for dichloropalladium;3-(1,3-thiazol-2-yl)benzamide;bis(triphenylphosphane) is Cl[Pd]Cl.NC(=O)c1cccc(-c2nccs2)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dichloropalladium;3-(1,3-thiazol-2-yl)benzamide;bis(triphenylphosphane)?
The InChIKey is ZTEBMPOPQYEMMR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H15P.C10H8N2OS.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;11-9(13)7-2-1-3-8(6-7)10-12-4-5-14-10;;;/h2*1-15H;1-6H,(H2,11,13);2*1H;/q;;;;;+2/p-2.
What are the key properties of dichloropalladium;3-(1,3-thiazol-2-yl)benzamide;bis(triphenylphosphane)?
dichloropalladium;3-(1,3-thiazol-2-yl)benzamide;bis(triphenylphosphane) has a molecular weight of 906.16 g/mol, XLogP of 10.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichloropalladium;3-(1,3-thiazol-2-yl)benzamide;bis(triphenylphosphane) is sourced from PubChem (CID 173081307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).