bis([(E)-3-chloro-4-phenyliminopent-2-en-2-yl]-phenylazanide);bis(palladium(2+));diacetate

C38H38Cl2N4O4Pd2 — CID 139102637

IUPACbis([(E)-3-chloro-4-phenyliminopent-2-en-2-yl]-phenylazanide);bis(palladium(2+));diacetate
SMILESCC(=N\c1ccccc1)/C(Cl)=C(/C)[N-]c1ccccc1.CC(=N\c1ccccc1)/C(Cl)=C(/C)[N-]c1ccccc1.CC(=O)[O-].CC(=O)[O-].[Pd+2].[Pd+2]
InChIInChI=1S/2C17H16ClN2.2C2H4O2.2Pd/c2*1-13(19-15-9-5-3-6-10-15)17(18)14(2)20-16-11-7-4-8-12-16;2*1-2(3)4;;/h2*3-12H,1-2H3;2*1H3,(H,3,4);;/q2*-1;;;2*+2/p-2/b2*17-13+,20-14+;;;;
InChIKeyKWFXROZJXDSDPM-UGYCPTSRSA-L
MW898.49 g/mol
LogP9.42
Rot. Bonds8

About bis([(E)-3-chloro-4-phenyliminopent-2-en-2-yl]-phenylazanide);bis(palladium(2+));diacetate

bis([(E)-3-chloro-4-phenyliminopent-2-en-2-yl]-phenylazanide);bis(palladium(2+));diacetate (PubChem CID 139102637) has the molecular formula C38H38Cl2N4O4Pd2 and a molecular weight of 898.49 g/mol. Its IUPAC name is bis([(E)-3-chloro-4-phenyliminopent-2-en-2-yl]-phenylazanide);bis(palladium(2+));diacetate.

Molecular Properties

Compound Namebis([(E)-3-chloro-4-phenyliminopent-2-en-2-yl]-phenylazanide);bis(palladium(2+));diacetate
PubChem CID139102637
Molecular FormulaC38H38Cl2N4O4Pd2
Molecular Weight898.49 g/mol
Exact Mass896.03
IUPAC Namebis([(E)-3-chloro-4-phenyliminopent-2-en-2-yl]-phenylazanide);bis(palladium(2+));diacetate
SMILESCC(=N\c1ccccc1)/C(Cl)=C(/C)[N-]c1ccccc1.CC(=N\c1ccccc1)/C(Cl)=C(/C)[N-]c1ccccc1.CC(=O)[O-].CC(=O)[O-].[Pd+2].[Pd+2]
InChIInChI=1S/2C17H16ClN2.2C2H4O2.2Pd/c2*1-13(19-15-9-5-3-6-10-15)17(18)14(2)20-16-11-7-4-8-12-16;2*1-2(3)4;;/h2*3-12H,1-2H3;2*1H3,(H,3,4);;/q2*-1;;;2*+2/p-2/b2*17-13+,20-14+;;;;
InChIKeyKWFXROZJXDSDPM-UGYCPTSRSA-L
XLogP9.42
TPSA133.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500898.49
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-phenyliminobutan-2-one
CID 12823040
2-N,3-N-diphenylbutane-2,3-diimine;dihydrochloride
CID 172723144
bis((C,N-diphenylcarbonimidoyl)-phenylazanide);palladium(2+)
CID 139129664
lithium acetyl(phenyl)azanide
CID 10877200
1,1'-biphenyl;palladium(2+);diacetate
CID 173036521
dibromoiron;2-N,3-N-diphenylbutane-2,3-diimine
CID 164938268
2-N,3-N-bis(4-phenylphenyl)butane-2,3-diimine;dichloronickel
CID 140654060
palladium(2+);triphenylphosphane;diacetate
CID 11554889
2,2-dichloro-N,N'-diphenylpropanediimidoyl dichloride
CID 3302476
dodecakis((N,N-dimethyl-N'-phenylcarbamimidoyl)-phenylazanide);tetrakis(iridium);tetrahexafluorophosphate
CID 139115553
azane;phenylmercury(1+);acetate
CID 90478884
2-(C-methyl-N-phenylcarbonimidoyl)pentanoate
CID 23175558

Frequently Asked Questions

What is the IUPAC name of bis([(E)-3-chloro-4-phenyliminopent-2-en-2-yl]-phenylazanide);bis(palladium(2+));diacetate?
The IUPAC name of bis([(E)-3-chloro-4-phenyliminopent-2-en-2-yl]-phenylazanide);bis(palladium(2+));diacetate (CID 139102637) is bis([(E)-3-chloro-4-phenyliminopent-2-en-2-yl]-phenylazanide);bis(palladium(2+));diacetate.
What is the SMILES notation for bis([(E)-3-chloro-4-phenyliminopent-2-en-2-yl]-phenylazanide);bis(palladium(2+));diacetate?
The canonical SMILES for bis([(E)-3-chloro-4-phenyliminopent-2-en-2-yl]-phenylazanide);bis(palladium(2+));diacetate is CC(=N\c1ccccc1)/C(Cl)=C(/C)[N-]c1ccccc1.CC(=N\c1ccccc1)/C(Cl)=C(/C)[N-]c1ccccc1.CC(=O)[O-].CC(=O)[O-].[Pd+2].[Pd+2].
What is the InChIKey of bis([(E)-3-chloro-4-phenyliminopent-2-en-2-yl]-phenylazanide);bis(palladium(2+));diacetate?
The InChIKey is KWFXROZJXDSDPM-UGYCPTSRSA-L. The full InChI is InChI=1S/2C17H16ClN2.2C2H4O2.2Pd/c2*1-13(19-15-9-5-3-6-10-15)17(18)14(2)20-16-11-7-4-8-12-16;2*1-2(3)4;;/h2*3-12H,1-2H3;2*1H3,(H,3,4);;/q2*-1;;;2*+2/p-2/b2*17-13+,20-14+;;;;.
What are the key properties of bis([(E)-3-chloro-4-phenyliminopent-2-en-2-yl]-phenylazanide);bis(palladium(2+));diacetate?
bis([(E)-3-chloro-4-phenyliminopent-2-en-2-yl]-phenylazanide);bis(palladium(2+));diacetate has a molecular weight of 898.49 g/mol, XLogP of 9.42, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis([(E)-3-chloro-4-phenyliminopent-2-en-2-yl]-phenylazanide);bis(palladium(2+));diacetate is sourced from PubChem (CID 139102637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).