1,1'-biphenyl;palladium;2-phenylaniline

C24H20NPd- — CID 174222698

IUPAC1,1'-biphenyl;palladium;2-phenylaniline
SMILESNc1ccccc1-c1[c-]cccc1.[Pd].c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10N.C12H10.Pd/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h1-6,8-9H,13H2;1-10H;/q-1;;
InChIKeyFYTKXYOZIVYXIQ-UHFFFAOYSA-N
MW428.85 g/mol
LogP6.09
Rot. Bonds2

About 1,1'-biphenyl;palladium;2-phenylaniline

1,1'-biphenyl;palladium;2-phenylaniline (PubChem CID 174222698) has the molecular formula C24H20NPd- and a molecular weight of 428.85 g/mol. Its IUPAC name is 1,1'-biphenyl;palladium;2-phenylaniline.

Molecular Properties

Compound Name1,1'-biphenyl;palladium;2-phenylaniline
PubChem CID174222698
Molecular FormulaC24H20NPd-
Molecular Weight428.85 g/mol
Exact Mass428.06
IUPAC Name1,1'-biphenyl;palladium;2-phenylaniline
SMILESNc1ccccc1-c1[c-]cccc1.[Pd].c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10N.C12H10.Pd/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h1-6,8-9H,13H2;1-10H;/q-1;;
InChIKeyFYTKXYOZIVYXIQ-UHFFFAOYSA-N
XLogP6.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.85
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;palladium;2-phenylaniline
CID 176694795
methanesulfonic acid;bis(palladium);bis(2-phenylaniline)
CID 117064808
potassium;palladium(2+);2-phenylaniline;carbonate
CID 162533153
hydrogen sulfate;palladium(2+);2-phenylaniline
CID 166559034
methanesulfonic acid;palladium;2-phenylaniline;tris(tritert-butylphosphanium)
CID 175727482
palladium(2+);2-phenylaniline;tricyclohexylphosphane;chloride
CID 170997340
CID 171371398
CID 171371398
2-phenylaniline;hydrochloride
CID 5284347
CID 159962191
CID 159962191
palladium(2+);2-phenylaniline
CID 175718665
butyl(docosyl)phosphane;methanesulfonic acid;palladium;2-phenylaniline
CID 175985152
N-methyl-2-phenylaniline;palladium
CID 142737599

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;palladium;2-phenylaniline?
The IUPAC name of 1,1'-biphenyl;palladium;2-phenylaniline (CID 174222698) is 1,1'-biphenyl;palladium;2-phenylaniline.
What is the SMILES notation for 1,1'-biphenyl;palladium;2-phenylaniline?
The canonical SMILES for 1,1'-biphenyl;palladium;2-phenylaniline is Nc1ccccc1-c1[c-]cccc1.[Pd].c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;palladium;2-phenylaniline?
The InChIKey is FYTKXYOZIVYXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N.C12H10.Pd/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h1-6,8-9H,13H2;1-10H;/q-1;;.
What are the key properties of 1,1'-biphenyl;palladium;2-phenylaniline?
1,1'-biphenyl;palladium;2-phenylaniline has a molecular weight of 428.85 g/mol, XLogP of 6.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;palladium;2-phenylaniline is sourced from PubChem (CID 174222698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).