bis(N-tert-butyl-1-phenylmethanimine);bis(chloropalladium(1+))

C22H28Cl2N2Pd2 — CID 13005103

IUPACbis(N-tert-butyl-1-phenylmethanimine);bis(chloropalladium(1+))
SMILESCC(C)(C)/N=C/c1[c-]cccc1.CC(C)(C)/N=C/c1[c-]cccc1.Cl[Pd+].Cl[Pd+]
InChIInChI=1S/2C11H14N.2ClH.2Pd/c2*1-11(2,3)12-9-10-7-5-4-6-8-10;;;;/h2*4-7,9H,1-3H3;2*1H;;/q2*-1;;;2*+2/p-2/b2*12-9+;;;;
InChIKeyRTXOMQGJMPYMCD-SUURJLSVSA-L
MW604.23 g/mol
LogP6.78
Rot. Bonds2

About bis(N-tert-butyl-1-phenylmethanimine);bis(chloropalladium(1+))

bis(N-tert-butyl-1-phenylmethanimine);bis(chloropalladium(1+)) (PubChem CID 13005103) has the molecular formula C22H28Cl2N2Pd2 and a molecular weight of 604.23 g/mol. Its IUPAC name is bis(N-tert-butyl-1-phenylmethanimine);bis(chloropalladium(1+)).

Molecular Properties

Compound Namebis(N-tert-butyl-1-phenylmethanimine);bis(chloropalladium(1+))
PubChem CID13005103
Molecular FormulaC22H28Cl2N2Pd2
Molecular Weight604.23 g/mol
Exact Mass601.97
IUPAC Namebis(N-tert-butyl-1-phenylmethanimine);bis(chloropalladium(1+))
SMILESCC(C)(C)/N=C/c1[c-]cccc1.CC(C)(C)/N=C/c1[c-]cccc1.Cl[Pd+].Cl[Pd+]
InChIInChI=1S/2C11H14N.2ClH.2Pd/c2*1-11(2,3)12-9-10-7-5-4-6-8-10;;;;/h2*4-7,9H,1-3H3;2*1H;;/q2*-1;;;2*+2/p-2/b2*12-9+;;;;
InChIKeyRTXOMQGJMPYMCD-SUURJLSVSA-L
XLogP6.78
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.23
LogP ≤ 56.78
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-(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
(3Z,5Z)-N-tert-butyl-2-methylidenehepta-3,5-dien-1-imine
CID 90070641
ethane;1-phenyl-N-(phenylmethyl)methanimine
CID 91576609
(2E,3Z)-N-tert-butyl-3-methyl-2-propylidenehexa-3,5-dien-1-imine;ethane
CID 143393387
(E)-N-tert-butyl-2-[(Z)-prop-1-enyl]pent-2-en-1-imine
CID 153465549
(Z,2E)-N-tert-butyl-2-ethylidenepent-3-en-1-imine
CID 165372215
bis(chloropalladium(1+));bis(N-methyl-1-phenylmethanimine)
CID 10951437
(E)-N-tert-butyl-2-methylidenepent-3-en-1-imine
CID 15849646
bis(chloropalladium(1+));bis(N-methyl-1-phenylmethanimine)
CID 54718552
(2E,3Z)-N-tert-butyl-3-methyl-2-propylidenehexa-3,5-dien-1-imine
CID 143393388

Frequently Asked Questions

What is the IUPAC name of bis(N-tert-butyl-1-phenylmethanimine);bis(chloropalladium(1+))?
The IUPAC name of bis(N-tert-butyl-1-phenylmethanimine);bis(chloropalladium(1+)) (CID 13005103) is bis(N-tert-butyl-1-phenylmethanimine);bis(chloropalladium(1+)).
What is the SMILES notation for bis(N-tert-butyl-1-phenylmethanimine);bis(chloropalladium(1+))?
The canonical SMILES for bis(N-tert-butyl-1-phenylmethanimine);bis(chloropalladium(1+)) is CC(C)(C)/N=C/c1[c-]cccc1.CC(C)(C)/N=C/c1[c-]cccc1.Cl[Pd+].Cl[Pd+].
What is the InChIKey of bis(N-tert-butyl-1-phenylmethanimine);bis(chloropalladium(1+))?
The InChIKey is RTXOMQGJMPYMCD-SUURJLSVSA-L. The full InChI is InChI=1S/2C11H14N.2ClH.2Pd/c2*1-11(2,3)12-9-10-7-5-4-6-8-10;;;;/h2*4-7,9H,1-3H3;2*1H;;/q2*-1;;;2*+2/p-2/b2*12-9+;;;;.
What are the key properties of bis(N-tert-butyl-1-phenylmethanimine);bis(chloropalladium(1+))?
bis(N-tert-butyl-1-phenylmethanimine);bis(chloropalladium(1+)) has a molecular weight of 604.23 g/mol, XLogP of 6.78, 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-phenylmethanimine);bis(chloropalladium(1+)) is sourced from PubChem (CID 13005103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).