bromopalladium(1+);carbanide;N,N'-diphenylethane-1,2-diimine

C15H15BrN2Pd — CID 22968105

IUPACbromopalladium(1+);carbanide;N,N'-diphenylethane-1,2-diimine
SMILESBr[Pd+].C(/C=N/c1ccccc1)=N\c1ccccc1.[CH3-]
InChIInChI=1S/C14H12N2.CH3.BrH.Pd/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14;;;/h1-12H;1H3;1H;/q;-1;;+2/p-1/b15-11+,16-12+;;;
InChIKeyWIOGFRVKTNIYAA-KAFKVMRASA-M
MW409.62 g/mol
LogP5.08
Rot. Bonds3

About bromopalladium(1+);carbanide;N,N'-diphenylethane-1,2-diimine

bromopalladium(1+);carbanide;N,N'-diphenylethane-1,2-diimine (PubChem CID 22968105) has the molecular formula C15H15BrN2Pd and a molecular weight of 409.62 g/mol. Its IUPAC name is bromopalladium(1+);carbanide;N,N'-diphenylethane-1,2-diimine.

Molecular Properties

Compound Namebromopalladium(1+);carbanide;N,N'-diphenylethane-1,2-diimine
PubChem CID22968105
Molecular FormulaC15H15BrN2Pd
Molecular Weight409.62 g/mol
Exact Mass407.95
IUPAC Namebromopalladium(1+);carbanide;N,N'-diphenylethane-1,2-diimine
SMILESBr[Pd+].C(/C=N/c1ccccc1)=N\c1ccccc1.[CH3-]
InChIInChI=1S/C14H12N2.CH3.BrH.Pd/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14;;;/h1-12H;1H3;1H;/q;-1;;+2/p-1/b15-11+,16-12+;;;
InChIKeyWIOGFRVKTNIYAA-KAFKVMRASA-M
XLogP5.08
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.62
LogP ≤ 55.08
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'}

Analyze bromopalladium(1+);carbanide;N,N'-diphenylethane-1,2-diimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N'-phenylethane-1,2-diimine
CID 21014566
3-phenyliminoprop-1-en-1-one
CID 135039976
(Z)-3-phenyliminoprop-1-en-1-amine
CID 118014655
(Z)-N,3-diphenylprop-2-en-1-imine
CID 40507555
N-phenylpenta-2,4-dien-1-imine
CID 123454989
(E)-3-(4-bromophenyl)-N-phenylprop-2-en-1-imine
CID 135076458
(E)-N,N'-diphenylpent-2-ene-1,5-diimine
CID 5473746
N,1-diphenylmethanimine
CID 10858
ethane;N-phenylethanimine
CID 91127812
(E)-N,4-diphenylbut-2-en-1-imine
CID 58165742
N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]hydroxylamine
CID 10726275
[4-(2-phenyliminoethylideneamino)phenyl] methanimidate
CID 88975331

Frequently Asked Questions

What is the IUPAC name of bromopalladium(1+);carbanide;N,N'-diphenylethane-1,2-diimine?
The IUPAC name of bromopalladium(1+);carbanide;N,N'-diphenylethane-1,2-diimine (CID 22968105) is bromopalladium(1+);carbanide;N,N'-diphenylethane-1,2-diimine.
What is the SMILES notation for bromopalladium(1+);carbanide;N,N'-diphenylethane-1,2-diimine?
The canonical SMILES for bromopalladium(1+);carbanide;N,N'-diphenylethane-1,2-diimine is Br[Pd+].C(/C=N/c1ccccc1)=N\c1ccccc1.[CH3-].
What is the InChIKey of bromopalladium(1+);carbanide;N,N'-diphenylethane-1,2-diimine?
The InChIKey is WIOGFRVKTNIYAA-KAFKVMRASA-M. The full InChI is InChI=1S/C14H12N2.CH3.BrH.Pd/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14;;;/h1-12H;1H3;1H;/q;-1;;+2/p-1/b15-11+,16-12+;;;.
What are the key properties of bromopalladium(1+);carbanide;N,N'-diphenylethane-1,2-diimine?
bromopalladium(1+);carbanide;N,N'-diphenylethane-1,2-diimine has a molecular weight of 409.62 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromopalladium(1+);carbanide;N,N'-diphenylethane-1,2-diimine is sourced from PubChem (CID 22968105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).