dichloro-tris(2-methylphenyl)-λ5-phosphane;palladium

C21H21Cl2PPd — CID 174858130

IUPACdichloro-tris(2-methylphenyl)-λ5-phosphane;palladium
SMILESCc1ccccc1P(Cl)(Cl)(c1ccccc1C)c1ccccc1C.[Pd]
InChIInChI=1S/C21H21Cl2P.Pd/c1-16-10-4-7-13-19(16)24(22,23,20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;/h4-15H,1-3H3;
InChIKeyMSADFUBCQUJWBU-UHFFFAOYSA-N
MW481.70 g/mol
LogP5.75
Rot. Bonds3

About dichloro-tris(2-methylphenyl)-λ5-phosphane;palladium

dichloro-tris(2-methylphenyl)-λ5-phosphane;palladium (PubChem CID 174858130) has the molecular formula C21H21Cl2PPd and a molecular weight of 481.70 g/mol. Its IUPAC name is dichloro-tris(2-methylphenyl)-λ5-phosphane;palladium.

Molecular Properties

Compound Namedichloro-tris(2-methylphenyl)-λ5-phosphane;palladium
PubChem CID174858130
Molecular FormulaC21H21Cl2PPd
Molecular Weight481.70 g/mol
Exact Mass479.98
IUPAC Namedichloro-tris(2-methylphenyl)-λ5-phosphane;palladium
SMILESCc1ccccc1P(Cl)(Cl)(c1ccccc1C)c1ccccc1C.[Pd]
InChIInChI=1S/C21H21Cl2P.Pd/c1-16-10-4-7-13-19(16)24(22,23,20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;/h4-15H,1-3H3;
InChIKeyMSADFUBCQUJWBU-UHFFFAOYSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.70
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloro-tris(2-methylphenyl)-λ5-phosphane;palladium?
The IUPAC name of dichloro-tris(2-methylphenyl)-λ5-phosphane;palladium (CID 174858130) is dichloro-tris(2-methylphenyl)-λ5-phosphane;palladium.
What is the SMILES notation for dichloro-tris(2-methylphenyl)-λ5-phosphane;palladium?
The canonical SMILES for dichloro-tris(2-methylphenyl)-λ5-phosphane;palladium is Cc1ccccc1P(Cl)(Cl)(c1ccccc1C)c1ccccc1C.[Pd].
What is the InChIKey of dichloro-tris(2-methylphenyl)-λ5-phosphane;palladium?
The InChIKey is MSADFUBCQUJWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2P.Pd/c1-16-10-4-7-13-19(16)24(22,23,20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;/h4-15H,1-3H3;.
What are the key properties of dichloro-tris(2-methylphenyl)-λ5-phosphane;palladium?
dichloro-tris(2-methylphenyl)-λ5-phosphane;palladium has a molecular weight of 481.70 g/mol, XLogP of 5.75, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-tris(2-methylphenyl)-λ5-phosphane;palladium is sourced from PubChem (CID 174858130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).