bis((2,3-ditert-butylphenyl)phosphane);dichloropalladium

C28H46Cl2P2Pd — CID 87225466

IUPACbis((2,3-ditert-butylphenyl)phosphane);dichloropalladium
SMILESCC(C)(C)c1cccc(P)c1C(C)(C)C.CC(C)(C)c1cccc(P)c1C(C)(C)C.Cl[Pd]Cl
InChIInChI=1S/2C14H23P.2ClH.Pd/c2*1-13(2,3)10-8-7-9-11(15)12(10)14(4,5)6;;;/h2*7-9H,15H2,1-6H3;2*1H;/q;;;;+2/p-2
InChIKeyTVOUDHIMZVREFG-UHFFFAOYSA-L
MW621.95 g/mol
LogP8.94
Rot. Bonds

About bis((2,3-ditert-butylphenyl)phosphane);dichloropalladium

bis((2,3-ditert-butylphenyl)phosphane);dichloropalladium (PubChem CID 87225466) has the molecular formula C28H46Cl2P2Pd and a molecular weight of 621.95 g/mol. Its IUPAC name is bis((2,3-ditert-butylphenyl)phosphane);dichloropalladium.

Molecular Properties

Compound Namebis((2,3-ditert-butylphenyl)phosphane);dichloropalladium
PubChem CID87225466
Molecular FormulaC28H46Cl2P2Pd
Molecular Weight621.95 g/mol
Exact Mass620.15
IUPAC Namebis((2,3-ditert-butylphenyl)phosphane);dichloropalladium
SMILESCC(C)(C)c1cccc(P)c1C(C)(C)C.CC(C)(C)c1cccc(P)c1C(C)(C)C.Cl[Pd]Cl
InChIInChI=1S/2C14H23P.2ClH.Pd/c2*1-13(2,3)10-8-7-9-11(15)12(10)14(4,5)6;;;/h2*7-9H,15H2,1-6H3;2*1H;/q;;;;+2/p-2
InChIKeyTVOUDHIMZVREFG-UHFFFAOYSA-L
XLogP8.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.95
LogP ≤ 58.94
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 bis((2,3-ditert-butylphenyl)phosphane);dichloropalladium?
The IUPAC name of bis((2,3-ditert-butylphenyl)phosphane);dichloropalladium (CID 87225466) is bis((2,3-ditert-butylphenyl)phosphane);dichloropalladium.
What is the SMILES notation for bis((2,3-ditert-butylphenyl)phosphane);dichloropalladium?
The canonical SMILES for bis((2,3-ditert-butylphenyl)phosphane);dichloropalladium is CC(C)(C)c1cccc(P)c1C(C)(C)C.CC(C)(C)c1cccc(P)c1C(C)(C)C.Cl[Pd]Cl.
What is the InChIKey of bis((2,3-ditert-butylphenyl)phosphane);dichloropalladium?
The InChIKey is TVOUDHIMZVREFG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H23P.2ClH.Pd/c2*1-13(2,3)10-8-7-9-11(15)12(10)14(4,5)6;;;/h2*7-9H,15H2,1-6H3;2*1H;/q;;;;+2/p-2.
What are the key properties of bis((2,3-ditert-butylphenyl)phosphane);dichloropalladium?
bis((2,3-ditert-butylphenyl)phosphane);dichloropalladium has a molecular weight of 621.95 g/mol, XLogP of 8.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2,3-ditert-butylphenyl)phosphane);dichloropalladium is sourced from PubChem (CID 87225466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).