bis(chloropalladium(1+));bis(1-phenyl-N-(2,4,6-trimethylphenyl)methanimine)

C32H32Cl2N2Pd2 — CID 139241818

IUPACbis(chloropalladium(1+));bis(1-phenyl-N-(2,4,6-trimethylphenyl)methanimine)
SMILESCc1cc(C)c(/N=C/c2[c-]cccc2)c(C)c1.Cc1cc(C)c(/N=C/c2[c-]cccc2)c(C)c1.Cl[Pd+].Cl[Pd+]
InChIInChI=1S/2C16H16N.2ClH.2Pd/c2*1-12-9-13(2)16(14(3)10-12)17-11-15-7-5-4-6-8-15;;;;/h2*4-7,9-11H,1-3H3;2*1H;;/q2*-1;;;2*+2/p-2/b2*17-11+;;;;
InChIKeyPALBTARSHXGXIX-YTPXGMBTSA-L
MW728.37 g/mol
LogP9.70
Rot. Bonds4

About bis(chloropalladium(1+));bis(1-phenyl-N-(2,4,6-trimethylphenyl)methanimine)

bis(chloropalladium(1+));bis(1-phenyl-N-(2,4,6-trimethylphenyl)methanimine) (PubChem CID 139241818) has the molecular formula C32H32Cl2N2Pd2 and a molecular weight of 728.37 g/mol. Its IUPAC name is bis(chloropalladium(1+));bis(1-phenyl-N-(2,4,6-trimethylphenyl)methanimine).

Molecular Properties

Compound Namebis(chloropalladium(1+));bis(1-phenyl-N-(2,4,6-trimethylphenyl)methanimine)
PubChem CID139241818
Molecular FormulaC32H32Cl2N2Pd2
Molecular Weight728.37 g/mol
Exact Mass726.00
IUPAC Namebis(chloropalladium(1+));bis(1-phenyl-N-(2,4,6-trimethylphenyl)methanimine)
SMILESCc1cc(C)c(/N=C/c2[c-]cccc2)c(C)c1.Cc1cc(C)c(/N=C/c2[c-]cccc2)c(C)c1.Cl[Pd+].Cl[Pd+]
InChIInChI=1S/2C16H16N.2ClH.2Pd/c2*1-12-9-13(2)16(14(3)10-12)17-11-15-7-5-4-6-8-15;;;;/h2*4-7,9-11H,1-3H3;2*1H;;/q2*-1;;;2*+2/p-2/b2*17-11+;;;;
InChIKeyPALBTARSHXGXIX-YTPXGMBTSA-L
XLogP9.70
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.37
LogP ≤ 59.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(chloropalladium(1+));bis(1-phenyl-N-(2,4,6-trimethylphenyl)methanimine)?
The IUPAC name of bis(chloropalladium(1+));bis(1-phenyl-N-(2,4,6-trimethylphenyl)methanimine) (CID 139241818) is bis(chloropalladium(1+));bis(1-phenyl-N-(2,4,6-trimethylphenyl)methanimine).
What is the SMILES notation for bis(chloropalladium(1+));bis(1-phenyl-N-(2,4,6-trimethylphenyl)methanimine)?
The canonical SMILES for bis(chloropalladium(1+));bis(1-phenyl-N-(2,4,6-trimethylphenyl)methanimine) is Cc1cc(C)c(/N=C/c2[c-]cccc2)c(C)c1.Cc1cc(C)c(/N=C/c2[c-]cccc2)c(C)c1.Cl[Pd+].Cl[Pd+].
What is the InChIKey of bis(chloropalladium(1+));bis(1-phenyl-N-(2,4,6-trimethylphenyl)methanimine)?
The InChIKey is PALBTARSHXGXIX-YTPXGMBTSA-L. The full InChI is InChI=1S/2C16H16N.2ClH.2Pd/c2*1-12-9-13(2)16(14(3)10-12)17-11-15-7-5-4-6-8-15;;;;/h2*4-7,9-11H,1-3H3;2*1H;;/q2*-1;;;2*+2/p-2/b2*17-11+;;;;.
What are the key properties of bis(chloropalladium(1+));bis(1-phenyl-N-(2,4,6-trimethylphenyl)methanimine)?
bis(chloropalladium(1+));bis(1-phenyl-N-(2,4,6-trimethylphenyl)methanimine) has a molecular weight of 728.37 g/mol, XLogP of 9.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(chloropalladium(1+));bis(1-phenyl-N-(2,4,6-trimethylphenyl)methanimine) is sourced from PubChem (CID 139241818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).