dichloropalladium;bis(tris(2-methylphenyl)phosphane)

C42H42Cl2P2Pd — CID 10876480

IUPACdichloropalladium;bis(tris(2-methylphenyl)phosphane)
SMILESCc1ccccc1P(c1ccccc1C)c1ccccc1C.Cc1ccccc1P(c1ccccc1C)c1ccccc1C.Cl[Pd]Cl
InChIInChI=1S/2C21H21P.2ClH.Pd/c2*1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;;;/h2*4-15H,1-3H3;2*1H;/q;;;;+2/p-2
InChIKeyOTYPIDNRISCWQY-UHFFFAOYSA-L
MW786.07 g/mol
LogP10.12
Rot. Bonds6

About dichloropalladium;bis(tris(2-methylphenyl)phosphane)

dichloropalladium;bis(tris(2-methylphenyl)phosphane) (PubChem CID 10876480) has the molecular formula C42H42Cl2P2Pd and a molecular weight of 786.07 g/mol. Its IUPAC name is dichloropalladium;bis(tris(2-methylphenyl)phosphane).

Molecular Properties

Compound Namedichloropalladium;bis(tris(2-methylphenyl)phosphane)
PubChem CID10876480
Molecular FormulaC42H42Cl2P2Pd
Molecular Weight786.07 g/mol
Exact Mass784.12
IUPAC Namedichloropalladium;bis(tris(2-methylphenyl)phosphane)
SMILESCc1ccccc1P(c1ccccc1C)c1ccccc1C.Cc1ccccc1P(c1ccccc1C)c1ccccc1C.Cl[Pd]Cl
InChIInChI=1S/2C21H21P.2ClH.Pd/c2*1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;;;/h2*4-15H,1-3H3;2*1H;/q;;;;+2/p-2
InChIKeyOTYPIDNRISCWQY-UHFFFAOYSA-L
XLogP10.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.07
LogP ≤ 510.12
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;bis(tris(2-methylphenyl)phosphane)?
The IUPAC name of dichloropalladium;bis(tris(2-methylphenyl)phosphane) (CID 10876480) is dichloropalladium;bis(tris(2-methylphenyl)phosphane).
What is the SMILES notation for dichloropalladium;bis(tris(2-methylphenyl)phosphane)?
The canonical SMILES for dichloropalladium;bis(tris(2-methylphenyl)phosphane) is Cc1ccccc1P(c1ccccc1C)c1ccccc1C.Cc1ccccc1P(c1ccccc1C)c1ccccc1C.Cl[Pd]Cl.
What is the InChIKey of dichloropalladium;bis(tris(2-methylphenyl)phosphane)?
The InChIKey is OTYPIDNRISCWQY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C21H21P.2ClH.Pd/c2*1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;;;/h2*4-15H,1-3H3;2*1H;/q;;;;+2/p-2.
What are the key properties of dichloropalladium;bis(tris(2-methylphenyl)phosphane)?
dichloropalladium;bis(tris(2-methylphenyl)phosphane) has a molecular weight of 786.07 g/mol, XLogP of 10.12, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloropalladium;bis(tris(2-methylphenyl)phosphane) is sourced from PubChem (CID 10876480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).