palladium(2+);bis(tris(2,4-dimethylphenyl)phosphane)

C48H54P2Pd+2 — CID 19087177

IUPACpalladium(2+);bis(tris(2,4-dimethylphenyl)phosphane)
SMILESCc1ccc(P(c2ccc(C)cc2C)c2ccc(C)cc2C)c(C)c1.Cc1ccc(P(c2ccc(C)cc2C)c2ccc(C)cc2C)c(C)c1.[Pd+2]
InChIInChI=1S/2C24H27P.Pd/c2*1-16-7-10-22(19(4)13-16)25(23-11-8-17(2)14-20(23)5)24-12-9-18(3)15-21(24)6;/h2*7-15H,1-6H3;/q;;+2
InChIKeyGSQVRQNMAMFOGX-UHFFFAOYSA-N
MW799.33 g/mol
LogP10.59
Rot. Bonds6

About palladium(2+);bis(tris(2,4-dimethylphenyl)phosphane)

palladium(2+);bis(tris(2,4-dimethylphenyl)phosphane) (PubChem CID 19087177) has the molecular formula C48H54P2Pd+2 and a molecular weight of 799.33 g/mol. Its IUPAC name is palladium(2+);bis(tris(2,4-dimethylphenyl)phosphane).

Molecular Properties

Compound Namepalladium(2+);bis(tris(2,4-dimethylphenyl)phosphane)
PubChem CID19087177
Molecular FormulaC48H54P2Pd+2
Molecular Weight799.33 g/mol
Exact Mass798.27
IUPAC Namepalladium(2+);bis(tris(2,4-dimethylphenyl)phosphane)
SMILESCc1ccc(P(c2ccc(C)cc2C)c2ccc(C)cc2C)c(C)c1.Cc1ccc(P(c2ccc(C)cc2C)c2ccc(C)cc2C)c(C)c1.[Pd+2]
InChIInChI=1S/2C24H27P.Pd/c2*1-16-7-10-22(19(4)13-16)25(23-11-8-17(2)14-20(23)5)24-12-9-18(3)15-21(24)6;/h2*7-15H,1-6H3;/q;;+2
InChIKeyGSQVRQNMAMFOGX-UHFFFAOYSA-N
XLogP10.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.33
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(2,4-dimethylphenyl)-phenylphosphane
CID 12046948
bis(2,4-dimethylphenoxy)-(2,4-dimethylphenyl)phosphane
CID 23352982
1,2,4-trimethylbenzene
CID 7247
dicyclohexyl-(2,4-dimethylphenyl)phosphane
CID 118892714
bis(2,4-difluorophenyl)-(2-fluoro-4-methylphenyl)phosphane
CID 134309609
azane;1,2,4-trimethylbenzene;hydrochloride
CID 174988554
(2,4-dimethylphenyl)-(3,5-dimethylphenyl)-[11-[(3,5-dimethylphenyl)-(3,4,5-trimethylphenyl)phosphanyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phosphane
CID 134991120
1-[3-(2,4-dimethylphenyl)butan-2-yl]-2,4-dimethylbenzene;ethane
CID 91220313
2,4-dimethylphenol
CID 67713801
formonitrile;1,2,4-trimethylbenzene
CID 90728107
ethane;fluoromethane;1,2,4-trimethylbenzene
CID 143343895
(2,4-dimethylphenyl)-trifluoro-λ4-sulfane;ethane
CID 143617729

Frequently Asked Questions

What is the IUPAC name of palladium(2+);bis(tris(2,4-dimethylphenyl)phosphane)?
The IUPAC name of palladium(2+);bis(tris(2,4-dimethylphenyl)phosphane) (CID 19087177) is palladium(2+);bis(tris(2,4-dimethylphenyl)phosphane).
What is the SMILES notation for palladium(2+);bis(tris(2,4-dimethylphenyl)phosphane)?
The canonical SMILES for palladium(2+);bis(tris(2,4-dimethylphenyl)phosphane) is Cc1ccc(P(c2ccc(C)cc2C)c2ccc(C)cc2C)c(C)c1.Cc1ccc(P(c2ccc(C)cc2C)c2ccc(C)cc2C)c(C)c1.[Pd+2].
What is the InChIKey of palladium(2+);bis(tris(2,4-dimethylphenyl)phosphane)?
The InChIKey is GSQVRQNMAMFOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H27P.Pd/c2*1-16-7-10-22(19(4)13-16)25(23-11-8-17(2)14-20(23)5)24-12-9-18(3)15-21(24)6;/h2*7-15H,1-6H3;/q;;+2.
What are the key properties of palladium(2+);bis(tris(2,4-dimethylphenyl)phosphane)?
palladium(2+);bis(tris(2,4-dimethylphenyl)phosphane) has a molecular weight of 799.33 g/mol, XLogP of 10.59, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for palladium(2+);bis(tris(2,4-dimethylphenyl)phosphane) is sourced from PubChem (CID 19087177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).