N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;dichloropalladium

C26H36Cl2N2Pd — CID 5231130

IUPACN,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;dichloropalladium
SMILESCC(C)c1cccc(C(C)C)c1/N=C/C=N/c1c(C(C)C)cccc1C(C)C.Cl[Pd]Cl
InChIInChI=1S/C26H36N2.2ClH.Pd/c1-17(2)21-11-9-12-22(18(3)4)25(21)27-15-16-28-26-23(19(5)6)13-10-14-24(26)20(7)8;;;/h9-20H,1-8H3;2*1H;/q;;;+2/p-2/b27-15+,28-16+;;;
InChIKeyUUSZYLUHWHMMIW-VEDJOPRVSA-L
MW553.91 g/mol
LogP9.66
Rot. Bonds7

About N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;dichloropalladium

N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;dichloropalladium (PubChem CID 5231130) has the molecular formula C26H36Cl2N2Pd and a molecular weight of 553.91 g/mol. Its IUPAC name is N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;dichloropalladium.

Molecular Properties

Compound NameN,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;dichloropalladium
PubChem CID5231130
Molecular FormulaC26H36Cl2N2Pd
Molecular Weight553.91 g/mol
Exact Mass552.13
IUPAC NameN,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;dichloropalladium
SMILESCC(C)c1cccc(C(C)C)c1/N=C/C=N/c1c(C(C)C)cccc1C(C)C.Cl[Pd]Cl
InChIInChI=1S/C26H36N2.2ClH.Pd/c1-17(2)21-11-9-12-22(18(3)4)25(21)27-15-16-28-26-23(19(5)6)13-10-14-24(26)20(7)8;;;/h9-20H,1-8H3;2*1H;/q;;;+2/p-2/b27-15+,28-16+;;;
InChIKeyUUSZYLUHWHMMIW-VEDJOPRVSA-L
XLogP9.66
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.91
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;dichloropalladium?
The IUPAC name of N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;dichloropalladium (CID 5231130) is N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;dichloropalladium.
What is the SMILES notation for N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;dichloropalladium?
The canonical SMILES for N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;dichloropalladium is CC(C)c1cccc(C(C)C)c1/N=C/C=N/c1c(C(C)C)cccc1C(C)C.Cl[Pd]Cl.
What is the InChIKey of N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;dichloropalladium?
The InChIKey is UUSZYLUHWHMMIW-VEDJOPRVSA-L. The full InChI is InChI=1S/C26H36N2.2ClH.Pd/c1-17(2)21-11-9-12-22(18(3)4)25(21)27-15-16-28-26-23(19(5)6)13-10-14-24(26)20(7)8;;;/h9-20H,1-8H3;2*1H;/q;;;+2/p-2/b27-15+,28-16+;;;.
What are the key properties of N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;dichloropalladium?
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;dichloropalladium has a molecular weight of 553.91 g/mol, XLogP of 9.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;dichloropalladium is sourced from PubChem (CID 5231130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).