ethane;palladium;2-phenylaniline

C14H16NPd- — CID 176694795

IUPACethane;palladium;2-phenylaniline
SMILESCC.Nc1ccccc1-c1[c-]cccc1.[Pd]
InChIInChI=1S/C12H10N.C2H6.Pd/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-2;/h1-6,8-9H,13H2;1-2H3;/q-1;;
InChIKeyYKSIXLNUZNAEHY-UHFFFAOYSA-N
MW304.71 g/mol
LogP3.76
Rot. Bonds1

About ethane;palladium;2-phenylaniline

ethane;palladium;2-phenylaniline (PubChem CID 176694795) has the molecular formula C14H16NPd- and a molecular weight of 304.71 g/mol. Its IUPAC name is ethane;palladium;2-phenylaniline.

Molecular Properties

Compound Nameethane;palladium;2-phenylaniline
PubChem CID176694795
Molecular FormulaC14H16NPd-
Molecular Weight304.71 g/mol
Exact Mass304.03
IUPAC Nameethane;palladium;2-phenylaniline
SMILESCC.Nc1ccccc1-c1[c-]cccc1.[Pd]
InChIInChI=1S/C12H10N.C2H6.Pd/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-2;/h1-6,8-9H,13H2;1-2H3;/q-1;;
InChIKeyYKSIXLNUZNAEHY-UHFFFAOYSA-N
XLogP3.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 53.76
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

1,1'-biphenyl;palladium;2-phenylaniline
CID 174222698
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
ethane;phenylbenzene;yttrium
CID 161119758
N-methyl-2-phenylaniline;palladium
CID 142737599
butyl(docosyl)phosphane;methanesulfonic acid;palladium;2-phenylaniline
CID 175985152
CID 171371398
CID 171371398
dichloromethane;methanesulfonic acid;palladium;2-phenylaniline;tricyclohexylphosphane
CID 121237574
iridium;phenylbenzene
CID 58599975

Frequently Asked Questions

What is the IUPAC name of ethane;palladium;2-phenylaniline?
The IUPAC name of ethane;palladium;2-phenylaniline (CID 176694795) is ethane;palladium;2-phenylaniline.
What is the SMILES notation for ethane;palladium;2-phenylaniline?
The canonical SMILES for ethane;palladium;2-phenylaniline is CC.Nc1ccccc1-c1[c-]cccc1.[Pd].
What is the InChIKey of ethane;palladium;2-phenylaniline?
The InChIKey is YKSIXLNUZNAEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N.C2H6.Pd/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-2;/h1-6,8-9H,13H2;1-2H3;/q-1;;.
What are the key properties of ethane;palladium;2-phenylaniline?
ethane;palladium;2-phenylaniline has a molecular weight of 304.71 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;palladium;2-phenylaniline is sourced from PubChem (CID 176694795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).