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

C26H19Cl2F3NPPd — CID 139240542

IUPACdichloropalladium;1-(2-diphenylphosphanylphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine
SMILESCl[Pd]Cl.FC(F)(F)c1ccccc1/N=C\c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H19F3NP.2ClH.Pd/c27-26(28,29)23-16-8-9-17-24(23)30-19-20-11-7-10-18-25(20)31(21-12-3-1-4-13-21)22-14-5-2-6-15-22;;;/h1-19H;2*1H;/q;;;+2/p-2/b30-19-;;;
InChIKeyNZMBHEPYGBTTSO-UIWDHKACSA-L
MW610.74 g/mol
LogP7.59
Rot. Bonds5

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

dichloropalladium;1-(2-diphenylphosphanylphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine (PubChem CID 139240542) has the molecular formula C26H19Cl2F3NPPd and a molecular weight of 610.74 g/mol. Its IUPAC name is dichloropalladium;1-(2-diphenylphosphanylphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Namedichloropalladium;1-(2-diphenylphosphanylphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine
PubChem CID139240542
Molecular FormulaC26H19Cl2F3NPPd
Molecular Weight610.74 g/mol
Exact Mass608.96
IUPAC Namedichloropalladium;1-(2-diphenylphosphanylphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine
SMILESCl[Pd]Cl.FC(F)(F)c1ccccc1/N=C\c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H19F3NP.2ClH.Pd/c27-26(28,29)23-16-8-9-17-24(23)30-19-20-11-7-10-18-25(20)31(21-12-3-1-4-13-21)22-14-5-2-6-15-22;;;/h1-19H;2*1H;/q;;;+2/p-2/b30-19-;;;
InChIKeyNZMBHEPYGBTTSO-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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Related Compounds

1-phenyl-N-[2-(trifluoromethyl)phenyl]methanimine
CID 15195578
1-[2-bis(2-methoxyphenyl)phosphanylphenyl]-N-(2-diphenylphosphanylphenyl)methanimine
CID 101383931
N-(2-diphenylphosphanylphenyl)-1-phenylmethanimine
CID 10995682
[2-diphenylphosphanyl-3-(trifluoromethyl)phenyl]-diphenylphosphane
CID 174981798
N-(2-diphenylphosphanylphenyl)-1-phenylmethanimine
CID 139103390
N,2-dimethyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]aniline
CID 20749228
1-(2-diphenylphosphanylphenyl)-N-(1-phenyldiazenylnaphthalen-2-yl)methanimine
CID 101183018
1-(2-diphenylphosphanylphenyl)-N-[(2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,2-diphenylethyl]methanimine
CID 59365608
1-[2-chloro-3-(trifluoromethyl)phenyl]-N-phenylmethanimine
CID 23340671
2-ethoxy-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 135657486
sodium 2-[(2-diphenylphosphanylphenyl)methylideneamino]-3,3-dimethylbutanoate
CID 75295063
sodium (2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-3,3-dimethylbutanoate
CID 154725624

Frequently Asked Questions

What is the IUPAC name of dichloropalladium;1-(2-diphenylphosphanylphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of dichloropalladium;1-(2-diphenylphosphanylphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine (CID 139240542) is dichloropalladium;1-(2-diphenylphosphanylphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for dichloropalladium;1-(2-diphenylphosphanylphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for dichloropalladium;1-(2-diphenylphosphanylphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine is Cl[Pd]Cl.FC(F)(F)c1ccccc1/N=C\c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of dichloropalladium;1-(2-diphenylphosphanylphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine?
The InChIKey is NZMBHEPYGBTTSO-UIWDHKACSA-L. The full InChI is InChI=1S/C26H19F3NP.2ClH.Pd/c27-26(28,29)23-16-8-9-17-24(23)30-19-20-11-7-10-18-25(20)31(21-12-3-1-4-13-21)22-14-5-2-6-15-22;;;/h1-19H;2*1H;/q;;;+2/p-2/b30-19-;;;.
What are the key properties of dichloropalladium;1-(2-diphenylphosphanylphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine?
dichloropalladium;1-(2-diphenylphosphanylphenyl)-N-[2-(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-[2-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 139240542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).