dichloropalladium;1-(2-diphenylphosphanylphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine

C26H19Cl2F3NPPd — CID 139240544

IUPACdichloropalladium;1-(2-diphenylphosphanylphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine
SMILESCl[Pd]Cl.FC(F)(F)c1cccc(/N=C\c2ccccc2P(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H19F3NP.2ClH.Pd/c27-26(28,29)21-11-9-12-22(18-21)30-19-20-10-7-8-17-25(20)31(23-13-3-1-4-14-23)24-15-5-2-6-16-24;;;/h1-19H;2*1H;/q;;;+2/p-2/b30-19-;;;
InChIKeyNHLMQSZYAJRWDU-UIWDHKACSA-L
MW610.74 g/mol
LogP7.59
Rot. Bonds5

About dichloropalladium;1-(2-diphenylphosphanylphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine

dichloropalladium;1-(2-diphenylphosphanylphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine (PubChem CID 139240544) has the molecular formula C26H19Cl2F3NPPd and a molecular weight of 610.74 g/mol. Its IUPAC name is dichloropalladium;1-(2-diphenylphosphanylphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Namedichloropalladium;1-(2-diphenylphosphanylphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine
PubChem CID139240544
Molecular FormulaC26H19Cl2F3NPPd
Molecular Weight610.74 g/mol
Exact Mass608.96
IUPAC Namedichloropalladium;1-(2-diphenylphosphanylphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine
SMILESCl[Pd]Cl.FC(F)(F)c1cccc(/N=C\c2ccccc2P(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H19F3NP.2ClH.Pd/c27-26(28,29)21-11-9-12-22(18-21)30-19-20-10-7-8-17-25(20)31(23-13-3-1-4-14-23)24-15-5-2-6-16-24;;;/h1-19H;2*1H;/q;;;+2/p-2/b30-19-;;;
InChIKeyNHLMQSZYAJRWDU-UIWDHKACSA-L
XLogP7.59
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.74
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dichloropalladium;1-(2-diphenylphosphanylphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of dichloropalladium;1-(2-diphenylphosphanylphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine (CID 139240544) is dichloropalladium;1-(2-diphenylphosphanylphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for dichloropalladium;1-(2-diphenylphosphanylphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for dichloropalladium;1-(2-diphenylphosphanylphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine is Cl[Pd]Cl.FC(F)(F)c1cccc(/N=C\c2ccccc2P(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of dichloropalladium;1-(2-diphenylphosphanylphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine?
The InChIKey is NHLMQSZYAJRWDU-UIWDHKACSA-L. The full InChI is InChI=1S/C26H19F3NP.2ClH.Pd/c27-26(28,29)21-11-9-12-22(18-21)30-19-20-10-7-8-17-25(20)31(23-13-3-1-4-14-23)24-15-5-2-6-16-24;;;/h1-19H;2*1H;/q;;;+2/p-2/b30-19-;;;.
What are the key properties of dichloropalladium;1-(2-diphenylphosphanylphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine?
dichloropalladium;1-(2-diphenylphosphanylphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine has a molecular weight of 610.74 g/mol, XLogP of 7.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloropalladium;1-(2-diphenylphosphanylphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 139240544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).