dichloropalladium;tris(2-methylphenyl)phosphane

C21H21Cl2PPd — CID 13170117

IUPACdichloropalladium;tris(2-methylphenyl)phosphane
SMILESCc1ccccc1P(c1ccccc1C)c1ccccc1C.Cl[Pd]Cl
InChIInChI=1S/C21H21P.2ClH.Pd/c1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;;;/h4-15H,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyGYUXWNHWPYRFAE-UHFFFAOYSA-L
MW481.70 g/mol
LogP5.75
Rot. Bonds3

About dichloropalladium;tris(2-methylphenyl)phosphane

dichloropalladium;tris(2-methylphenyl)phosphane (PubChem CID 13170117) has the molecular formula C21H21Cl2PPd and a molecular weight of 481.70 g/mol. Its IUPAC name is dichloropalladium;tris(2-methylphenyl)phosphane.

Molecular Properties

Compound Namedichloropalladium;tris(2-methylphenyl)phosphane
PubChem CID13170117
Molecular FormulaC21H21Cl2PPd
Molecular Weight481.70 g/mol
Exact Mass479.98
IUPAC Namedichloropalladium;tris(2-methylphenyl)phosphane
SMILESCc1ccccc1P(c1ccccc1C)c1ccccc1C.Cl[Pd]Cl
InChIInChI=1S/C21H21P.2ClH.Pd/c1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;;;/h4-15H,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyGYUXWNHWPYRFAE-UHFFFAOYSA-L
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 dichloropalladium;tris(2-methylphenyl)phosphane?
The IUPAC name of dichloropalladium;tris(2-methylphenyl)phosphane (CID 13170117) is dichloropalladium;tris(2-methylphenyl)phosphane.
What is the SMILES notation for dichloropalladium;tris(2-methylphenyl)phosphane?
The canonical SMILES for dichloropalladium;tris(2-methylphenyl)phosphane is Cc1ccccc1P(c1ccccc1C)c1ccccc1C.Cl[Pd]Cl.
What is the InChIKey of dichloropalladium;tris(2-methylphenyl)phosphane?
The InChIKey is GYUXWNHWPYRFAE-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H21P.2ClH.Pd/c1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;;;/h4-15H,1-3H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichloropalladium;tris(2-methylphenyl)phosphane?
dichloropalladium;tris(2-methylphenyl)phosphane 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 dichloropalladium;tris(2-methylphenyl)phosphane is sourced from PubChem (CID 13170117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).