palladium(2+);2-phenylaniline

C12H11NPd+2 — CID 175718665

IUPACpalladium(2+);2-phenylaniline
SMILESNc1ccccc1-c1ccccc1.[Pd+2]
InChIInChI=1S/C12H11N.Pd/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9H,13H2;/q;+2
InChIKeySHNYJWJITPQFED-UHFFFAOYSA-N
MW275.65 g/mol
LogP2.93
Rot. Bonds1

About palladium(2+);2-phenylaniline

palladium(2+);2-phenylaniline (PubChem CID 175718665) has the molecular formula C12H11NPd+2 and a molecular weight of 275.65 g/mol. Its IUPAC name is palladium(2+);2-phenylaniline.

Molecular Properties

Compound Namepalladium(2+);2-phenylaniline
PubChem CID175718665
Molecular FormulaC12H11NPd+2
Molecular Weight275.65 g/mol
Exact Mass274.99
IUPAC Namepalladium(2+);2-phenylaniline
SMILESNc1ccccc1-c1ccccc1.[Pd+2]
InChIInChI=1S/C12H11N.Pd/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9H,13H2;/q;+2
InChIKeySHNYJWJITPQFED-UHFFFAOYSA-N
XLogP2.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.65
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of palladium(2+);2-phenylaniline?
The IUPAC name of palladium(2+);2-phenylaniline (CID 175718665) is palladium(2+);2-phenylaniline.
What is the SMILES notation for palladium(2+);2-phenylaniline?
The canonical SMILES for palladium(2+);2-phenylaniline is Nc1ccccc1-c1ccccc1.[Pd+2].
What is the InChIKey of palladium(2+);2-phenylaniline?
The InChIKey is SHNYJWJITPQFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N.Pd/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9H,13H2;/q;+2.
What are the key properties of palladium(2+);2-phenylaniline?
palladium(2+);2-phenylaniline has a molecular weight of 275.65 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for palladium(2+);2-phenylaniline is sourced from PubChem (CID 175718665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).