bis(N-tert-butyl-1-(4-methylbenzene-6-id-1-yl)methanimine);bis(chloropalladium(1+))

C24H32Cl2N2Pd2 — CID 13005105

IUPACbis(N-tert-butyl-1-(4-methylbenzene-6-id-1-yl)methanimine);bis(chloropalladium(1+))
SMILESCc1c[c-]c(/C=N/C(C)(C)C)cc1.Cc1c[c-]c(/C=N/C(C)(C)C)cc1.Cl[Pd+].Cl[Pd+]
InChIInChI=1S/2C12H16N.2ClH.2Pd/c2*1-10-5-7-11(8-6-10)9-13-12(2,3)4;;;;/h2*5-7,9H,1-4H3;2*1H;;/q2*-1;;;2*+2/p-2/b2*13-9+;;;;
InChIKeyNHGQRIALPBLZEG-WNVHQAKYSA-L
MW632.28 g/mol
LogP7.40
Rot. Bonds2

About bis(N-tert-butyl-1-(4-methylbenzene-6-id-1-yl)methanimine);bis(chloropalladium(1+))

bis(N-tert-butyl-1-(4-methylbenzene-6-id-1-yl)methanimine);bis(chloropalladium(1+)) (PubChem CID 13005105) has the molecular formula C24H32Cl2N2Pd2 and a molecular weight of 632.28 g/mol. Its IUPAC name is bis(N-tert-butyl-1-(4-methylbenzene-6-id-1-yl)methanimine);bis(chloropalladium(1+)).

Molecular Properties

Compound Namebis(N-tert-butyl-1-(4-methylbenzene-6-id-1-yl)methanimine);bis(chloropalladium(1+))
PubChem CID13005105
Molecular FormulaC24H32Cl2N2Pd2
Molecular Weight632.28 g/mol
Exact Mass630.00
IUPAC Namebis(N-tert-butyl-1-(4-methylbenzene-6-id-1-yl)methanimine);bis(chloropalladium(1+))
SMILESCc1c[c-]c(/C=N/C(C)(C)C)cc1.Cc1c[c-]c(/C=N/C(C)(C)C)cc1.Cl[Pd+].Cl[Pd+]
InChIInChI=1S/2C12H16N.2ClH.2Pd/c2*1-10-5-7-11(8-6-10)9-13-12(2,3)4;;;;/h2*5-7,9H,1-4H3;2*1H;;/q2*-1;;;2*+2/p-2/b2*13-9+;;;;
InChIKeyNHGQRIALPBLZEG-WNVHQAKYSA-L
XLogP7.40
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.28
LogP ≤ 57.40
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
lithium N-tert-butyl-1-[3-(tert-butyliminomethyl)benzene-2-id-1-yl]methanimine
CID 138967381
(2E,3Z)-N-tert-butyl-3-methyl-2-propylidenehexa-3,5-dien-1-imine;ethane
CID 143393387
bis(chloropalladium(1+));bis(N-methyl-1-phenylmethanimine)
CID 10951437
bis(chloropalladium(1+));bis(N-methyl-1-phenylmethanimine)
CID 54718552

Frequently Asked Questions

What is the IUPAC name of bis(N-tert-butyl-1-(4-methylbenzene-6-id-1-yl)methanimine);bis(chloropalladium(1+))?
The IUPAC name of bis(N-tert-butyl-1-(4-methylbenzene-6-id-1-yl)methanimine);bis(chloropalladium(1+)) (CID 13005105) is bis(N-tert-butyl-1-(4-methylbenzene-6-id-1-yl)methanimine);bis(chloropalladium(1+)).
What is the SMILES notation for bis(N-tert-butyl-1-(4-methylbenzene-6-id-1-yl)methanimine);bis(chloropalladium(1+))?
The canonical SMILES for bis(N-tert-butyl-1-(4-methylbenzene-6-id-1-yl)methanimine);bis(chloropalladium(1+)) is Cc1c[c-]c(/C=N/C(C)(C)C)cc1.Cc1c[c-]c(/C=N/C(C)(C)C)cc1.Cl[Pd+].Cl[Pd+].
What is the InChIKey of bis(N-tert-butyl-1-(4-methylbenzene-6-id-1-yl)methanimine);bis(chloropalladium(1+))?
The InChIKey is NHGQRIALPBLZEG-WNVHQAKYSA-L. The full InChI is InChI=1S/2C12H16N.2ClH.2Pd/c2*1-10-5-7-11(8-6-10)9-13-12(2,3)4;;;;/h2*5-7,9H,1-4H3;2*1H;;/q2*-1;;;2*+2/p-2/b2*13-9+;;;;.
What are the key properties of bis(N-tert-butyl-1-(4-methylbenzene-6-id-1-yl)methanimine);bis(chloropalladium(1+))?
bis(N-tert-butyl-1-(4-methylbenzene-6-id-1-yl)methanimine);bis(chloropalladium(1+)) has a molecular weight of 632.28 g/mol, XLogP of 7.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-tert-butyl-1-(4-methylbenzene-6-id-1-yl)methanimine);bis(chloropalladium(1+)) is sourced from PubChem (CID 13005105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).