bis(chloropalladium(1+));bis(N,N-dimethyl-1-phenylmethanamine)

C18H24Cl2N2Pd2 — CID 54708725

IUPACbis(chloropalladium(1+));bis(N,N-dimethyl-1-phenylmethanamine)
SMILESCN(C)Cc1[c-]cccc1.CN(C)Cc1[c-]cccc1.Cl[Pd+].Cl[Pd+]
InChIInChI=1S/2C9H12N.2ClH.2Pd/c2*1-10(2)8-9-6-4-3-5-7-9;;;;/h2*3-6H,8H2,1-2H3;2*1H;;/q2*-1;;;2*+2/p-2
InChIKeyRYOPVFUGUFDYKP-UHFFFAOYSA-L
MW552.15 g/mol
LogP4.47
Rot. Bonds4

About bis(chloropalladium(1+));bis(N,N-dimethyl-1-phenylmethanamine)

bis(chloropalladium(1+));bis(N,N-dimethyl-1-phenylmethanamine) (PubChem CID 54708725) has the molecular formula C18H24Cl2N2Pd2 and a molecular weight of 552.15 g/mol. Its IUPAC name is bis(chloropalladium(1+));bis(N,N-dimethyl-1-phenylmethanamine).

Molecular Properties

Compound Namebis(chloropalladium(1+));bis(N,N-dimethyl-1-phenylmethanamine)
PubChem CID54708725
Molecular FormulaC18H24Cl2N2Pd2
Molecular Weight552.15 g/mol
Exact Mass549.94
IUPAC Namebis(chloropalladium(1+));bis(N,N-dimethyl-1-phenylmethanamine)
SMILESCN(C)Cc1[c-]cccc1.CN(C)Cc1[c-]cccc1.Cl[Pd+].Cl[Pd+]
InChIInChI=1S/2C9H12N.2ClH.2Pd/c2*1-10(2)8-9-6-4-3-5-7-9;;;;/h2*3-6H,8H2,1-2H3;2*1H;;/q2*-1;;;2*+2/p-2
InChIKeyRYOPVFUGUFDYKP-UHFFFAOYSA-L
XLogP4.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.15
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(chloropalladium(1+));bis(N,N-dimethyl-1-phenylmethanamine)?
The IUPAC name of bis(chloropalladium(1+));bis(N,N-dimethyl-1-phenylmethanamine) (CID 54708725) is bis(chloropalladium(1+));bis(N,N-dimethyl-1-phenylmethanamine).
What is the SMILES notation for bis(chloropalladium(1+));bis(N,N-dimethyl-1-phenylmethanamine)?
The canonical SMILES for bis(chloropalladium(1+));bis(N,N-dimethyl-1-phenylmethanamine) is CN(C)Cc1[c-]cccc1.CN(C)Cc1[c-]cccc1.Cl[Pd+].Cl[Pd+].
What is the InChIKey of bis(chloropalladium(1+));bis(N,N-dimethyl-1-phenylmethanamine)?
The InChIKey is RYOPVFUGUFDYKP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H12N.2ClH.2Pd/c2*1-10(2)8-9-6-4-3-5-7-9;;;;/h2*3-6H,8H2,1-2H3;2*1H;;/q2*-1;;;2*+2/p-2.
What are the key properties of bis(chloropalladium(1+));bis(N,N-dimethyl-1-phenylmethanamine)?
bis(chloropalladium(1+));bis(N,N-dimethyl-1-phenylmethanamine) has a molecular weight of 552.15 g/mol, XLogP of 4.47, 4 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,N-dimethyl-1-phenylmethanamine) is sourced from PubChem (CID 54708725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).