bis(chloropalladium(1+));bis(N-methyl-1-phenylmethanimine)

C16H16Cl2N2Pd2 — CID 10951437

IUPACbis(chloropalladium(1+));bis(N-methyl-1-phenylmethanimine)
SMILESC/N=C/c1[c-]cccc1.C/N=C/c1[c-]cccc1.Cl[Pd+].Cl[Pd+]
InChIInChI=1S/2C8H8N.2ClH.2Pd/c2*1-9-7-8-5-3-2-4-6-8;;;;/h2*2-5,7H,1H3;2*1H;;/q2*-1;;;2*+2/p-2/b2*9-7+;;;;
InChIKeyIWMNSOXEIXJWPO-YATTXXIDSA-L
MW520.06 g/mol
LogP4.44
Rot. Bonds2

About bis(chloropalladium(1+));bis(N-methyl-1-phenylmethanimine)

bis(chloropalladium(1+));bis(N-methyl-1-phenylmethanimine) (PubChem CID 10951437) has the molecular formula C16H16Cl2N2Pd2 and a molecular weight of 520.06 g/mol. Its IUPAC name is bis(chloropalladium(1+));bis(N-methyl-1-phenylmethanimine).

Molecular Properties

Compound Namebis(chloropalladium(1+));bis(N-methyl-1-phenylmethanimine)
PubChem CID10951437
Molecular FormulaC16H16Cl2N2Pd2
Molecular Weight520.06 g/mol
Exact Mass517.88
IUPAC Namebis(chloropalladium(1+));bis(N-methyl-1-phenylmethanimine)
SMILESC/N=C/c1[c-]cccc1.C/N=C/c1[c-]cccc1.Cl[Pd+].Cl[Pd+]
InChIInChI=1S/2C8H8N.2ClH.2Pd/c2*1-9-7-8-5-3-2-4-6-8;;;;/h2*2-5,7H,1H3;2*1H;;/q2*-1;;;2*+2/p-2/b2*9-7+;;;;
InChIKeyIWMNSOXEIXJWPO-YATTXXIDSA-L
XLogP4.44
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.06
LogP ≤ 54.44
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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Related Compounds

bis(N-tert-butyl-1-phenylmethanimine);bis(chloropalladium(1+))
CID 13005103
bis(N-tert-butyl-1-(4-methylbenzene-6-id-1-yl)methanimine);bis(chloropalladium(1+))
CID 13005105
lithium N-tert-butyl-1-[3-(tert-butyliminomethyl)benzene-2-id-1-yl]methanimine
CID 138967381
1-(4-methylbenzene-6-id-1-yl)-N-[2-[(2-methylbenzene-6-id-1-yl)methylideneamino]ethyl]methanimine;bis(yttrium)
CID 58604558
(2E,4E,6E,8E)-N-butyl-2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaen-1-imine
CID 60138494
N-butyl-2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaen-1-imine
CID 72660199
ethane;1-phenyl-N-(phenylmethyl)methanimine
CID 91576609
2-[(2Z,5Z)-hepta-2,5-dien-4-ylidene]-N,N'-dimethylpropane-1,3-diimine
CID 130178011
2-[(4Z)-hexa-1,4-dien-3-ylidene]-N,N'-dimethylpropane-1,3-diimine
CID 135207833
1-cyclohexa-1,5-dien-1-yl-N-[(Z,2E)-2-ethylidenepent-3-enyl]methanimine;ethane
CID 142219475
(2E,5Z)-2,7-dimethyl-4-propan-2-ylidene-N-propylocta-2,5,7-trien-1-imine;ethane
CID 142547914
(2E,3Z)-2-butan-2-ylidene-N-ethylhexa-3,5-dien-1-imine;ethane
CID 145561377

Frequently Asked Questions

What is the IUPAC name of bis(chloropalladium(1+));bis(N-methyl-1-phenylmethanimine)?
The IUPAC name of bis(chloropalladium(1+));bis(N-methyl-1-phenylmethanimine) (CID 10951437) is bis(chloropalladium(1+));bis(N-methyl-1-phenylmethanimine).
What is the SMILES notation for bis(chloropalladium(1+));bis(N-methyl-1-phenylmethanimine)?
The canonical SMILES for bis(chloropalladium(1+));bis(N-methyl-1-phenylmethanimine) is C/N=C/c1[c-]cccc1.C/N=C/c1[c-]cccc1.Cl[Pd+].Cl[Pd+].
What is the InChIKey of bis(chloropalladium(1+));bis(N-methyl-1-phenylmethanimine)?
The InChIKey is IWMNSOXEIXJWPO-YATTXXIDSA-L. The full InChI is InChI=1S/2C8H8N.2ClH.2Pd/c2*1-9-7-8-5-3-2-4-6-8;;;;/h2*2-5,7H,1H3;2*1H;;/q2*-1;;;2*+2/p-2/b2*9-7+;;;;.
What are the key properties of bis(chloropalladium(1+));bis(N-methyl-1-phenylmethanimine)?
bis(chloropalladium(1+));bis(N-methyl-1-phenylmethanimine) has a molecular weight of 520.06 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(chloropalladium(1+));bis(N-methyl-1-phenylmethanimine) is sourced from PubChem (CID 10951437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).