palladium(2+);tris(4-methylphenyl)phosphane;diacetate

C25H27O4PPd — CID 173264842

IUPACpalladium(2+);tris(4-methylphenyl)phosphane;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].Cc1ccc(P(c2ccc(C)cc2)c2ccc(C)cc2)cc1.[Pd+2]
InChIInChI=1S/C21H21P.2C2H4O2.Pd/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;2*1-2(3)4;/h4-15H,1-3H3;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyMFGVUPVBHUUSJR-UHFFFAOYSA-L
MW528.88 g/mol
LogP1.88
Rot. Bonds3

About palladium(2+);tris(4-methylphenyl)phosphane;diacetate

palladium(2+);tris(4-methylphenyl)phosphane;diacetate (PubChem CID 173264842) has the molecular formula C25H27O4PPd and a molecular weight of 528.88 g/mol. Its IUPAC name is palladium(2+);tris(4-methylphenyl)phosphane;diacetate.

Molecular Properties

Compound Namepalladium(2+);tris(4-methylphenyl)phosphane;diacetate
PubChem CID173264842
Molecular FormulaC25H27O4PPd
Molecular Weight528.88 g/mol
Exact Mass528.07
IUPAC Namepalladium(2+);tris(4-methylphenyl)phosphane;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].Cc1ccc(P(c2ccc(C)cc2)c2ccc(C)cc2)cc1.[Pd+2]
InChIInChI=1S/C21H21P.2C2H4O2.Pd/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;2*1-2(3)4;/h4-15H,1-3H3;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyMFGVUPVBHUUSJR-UHFFFAOYSA-L
XLogP1.88
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.88
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

platinum;tris(tris(4-methylphenyl)phosphane)
CID 71361072
ethane;tris(4-methylphenyl)phosphane
CID 145151678
palladium(2+);triphenylphosphane;diacetate
CID 11554889
gold(3+);triphenylphosphane;triacetate
CID 160881940
cobalt(2+);bis(tris(4-methylphenyl)phosphane);dichloride
CID 161245317
diiodopalladium;bis(tris(4-methylphenyl)phosphane)
CID 23037656
copper(1+);bis(triphenylphosphane);acetate
CID 175797724
silver;tris(4-methylphenyl)phosphane;perchlorate
CID 135045911
(3,5-dimethylphenyl)-bis(4-methylphenyl)phosphane
CID 129275176
(4-methylphenyl)-[4-[(4-methylphenyl)-phenylphosphanyl]phenyl]-phenylphosphane
CID 141372825
4-[(4-methylphenyl)-(3-oxobutyl)phosphanyl]butan-2-one
CID 101425036
copper;bis(4-methylpyridine);diacetate
CID 139057295

Frequently Asked Questions

What is the IUPAC name of palladium(2+);tris(4-methylphenyl)phosphane;diacetate?
The IUPAC name of palladium(2+);tris(4-methylphenyl)phosphane;diacetate (CID 173264842) is palladium(2+);tris(4-methylphenyl)phosphane;diacetate.
What is the SMILES notation for palladium(2+);tris(4-methylphenyl)phosphane;diacetate?
The canonical SMILES for palladium(2+);tris(4-methylphenyl)phosphane;diacetate is CC(=O)[O-].CC(=O)[O-].Cc1ccc(P(c2ccc(C)cc2)c2ccc(C)cc2)cc1.[Pd+2].
What is the InChIKey of palladium(2+);tris(4-methylphenyl)phosphane;diacetate?
The InChIKey is MFGVUPVBHUUSJR-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H21P.2C2H4O2.Pd/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;2*1-2(3)4;/h4-15H,1-3H3;2*1H3,(H,3,4);/q;;;+2/p-2.
What are the key properties of palladium(2+);tris(4-methylphenyl)phosphane;diacetate?
palladium(2+);tris(4-methylphenyl)phosphane;diacetate has a molecular weight of 528.88 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for palladium(2+);tris(4-methylphenyl)phosphane;diacetate is sourced from PubChem (CID 173264842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).