bis(chloropalladium(1+));bis(4-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]benzene-5-id-1-ol)

C26H18Cl4N2O4Pd2 — CID 134991894

IUPACbis(chloropalladium(1+));bis(4-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]benzene-5-id-1-ol)
SMILESCl[Pd+].Cl[Pd+].O/N=C(/c1[c-]cc(O)cc1)c1ccc(Cl)cc1.O/N=C(/c1[c-]cc(O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/2C13H9ClNO2.2ClH.2Pd/c2*14-11-5-1-9(2-6-11)13(15-17)10-3-7-12(16)8-4-10;;;;/h2*1-3,5-8,16-17H;2*1H;;/q2*-1;;;2*+2/p-2/b2*15-13+;;;;
InChIKeyCROLHXJZYQRIRH-YEDAJBNWSA-L
MW777.09 g/mol
LogP7.52
Rot. Bonds4

About bis(chloropalladium(1+));bis(4-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]benzene-5-id-1-ol)

bis(chloropalladium(1+));bis(4-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]benzene-5-id-1-ol) (PubChem CID 134991894) has the molecular formula C26H18Cl4N2O4Pd2 and a molecular weight of 777.09 g/mol. Its IUPAC name is bis(chloropalladium(1+));bis(4-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]benzene-5-id-1-ol).

Molecular Properties

Compound Namebis(chloropalladium(1+));bis(4-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]benzene-5-id-1-ol)
PubChem CID134991894
Molecular FormulaC26H18Cl4N2O4Pd2
Molecular Weight777.09 g/mol
Exact Mass773.81
IUPAC Namebis(chloropalladium(1+));bis(4-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]benzene-5-id-1-ol)
SMILESCl[Pd+].Cl[Pd+].O/N=C(/c1[c-]cc(O)cc1)c1ccc(Cl)cc1.O/N=C(/c1[c-]cc(O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/2C13H9ClNO2.2ClH.2Pd/c2*14-11-5-1-9(2-6-11)13(15-17)10-3-7-12(16)8-4-10;;;;/h2*1-3,5-8,16-17H;2*1H;;/q2*-1;;;2*+2/p-2/b2*15-13+;;;;
InChIKeyCROLHXJZYQRIRH-YEDAJBNWSA-L
XLogP7.52
TPSA105.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.09
LogP ≤ 57.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[arsanyl-(4-chlorophenyl)methylidene]hydroxylamine
CID 173159716
4-chlorophenol
CID 4684
(NE)-N-[(5-aminopyridazin-4-yl)-(4-chlorophenyl)methylidene]hydroxylamine
CID 137284435
bis(4-chlorophenol);chromium
CID 152534645
4-chloro-N,N'-dihydroxybenzenecarboximidamide
CID 165349472
[2-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]phenyl]methanol
CID 11482402
magnesium;4-chlorophenol;hydride
CID 174509814
CID 159053897
CID 159053897
N-[(4-bromophenyl)-(2,4-dichlorophenyl)methylidene]hydroxylamine
CID 73431883
benzene-1,4-diol;bis(4-chlorophenyl)methanone;[4-[4-[4-(4-chlorobenzoyl)phenoxy]phenoxy]phenyl]-(4-chlorophenyl)methanone
CID 159184900
(NE)-N-[(6E)-1,6-bis(4-chlorophenyl)-6-hydroxyiminohexylidene]hydroxylamine
CID 45126946
N-[1-(4-chlorophenyl)propylidene]hydroxylamine
CID 74054167

Frequently Asked Questions

What is the IUPAC name of bis(chloropalladium(1+));bis(4-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]benzene-5-id-1-ol)?
The IUPAC name of bis(chloropalladium(1+));bis(4-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]benzene-5-id-1-ol) (CID 134991894) is bis(chloropalladium(1+));bis(4-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]benzene-5-id-1-ol).
What is the SMILES notation for bis(chloropalladium(1+));bis(4-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]benzene-5-id-1-ol)?
The canonical SMILES for bis(chloropalladium(1+));bis(4-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]benzene-5-id-1-ol) is Cl[Pd+].Cl[Pd+].O/N=C(/c1[c-]cc(O)cc1)c1ccc(Cl)cc1.O/N=C(/c1[c-]cc(O)cc1)c1ccc(Cl)cc1.
What is the InChIKey of bis(chloropalladium(1+));bis(4-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]benzene-5-id-1-ol)?
The InChIKey is CROLHXJZYQRIRH-YEDAJBNWSA-L. The full InChI is InChI=1S/2C13H9ClNO2.2ClH.2Pd/c2*14-11-5-1-9(2-6-11)13(15-17)10-3-7-12(16)8-4-10;;;;/h2*1-3,5-8,16-17H;2*1H;;/q2*-1;;;2*+2/p-2/b2*15-13+;;;;.
What are the key properties of bis(chloropalladium(1+));bis(4-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]benzene-5-id-1-ol)?
bis(chloropalladium(1+));bis(4-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]benzene-5-id-1-ol) has a molecular weight of 777.09 g/mol, XLogP of 7.52, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(chloropalladium(1+));bis(4-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]benzene-5-id-1-ol) is sourced from PubChem (CID 134991894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).