ethyl (E)-2-[N-(2,6-dimethylphenyl)-C-phenylselanylcarbonimidoyl]-3-phenylselanylprop-2-enoate

C26H25NO2Se2 — CID 11432683

IUPACethyl (E)-2-[N-(2,6-dimethylphenyl)-C-phenylselanylcarbonimidoyl]-3-phenylselanylprop-2-enoate
SMILESCCOC(=O)C(=C\[Se]c1ccccc1)/C(=N/c1c(C)cccc1C)[Se]c1ccccc1
InChIInChI=1S/C26H25NO2Se2/c1-4-29-26(28)23(18-30-21-14-7-5-8-15-21)25(31-22-16-9-6-10-17-22)27-24-19(2)12-11-13-20(24)3/h5-18H,4H2,1-3H3/b23-18-,27-25-
InChIKeyMKAIUJOPEKCNBV-FALKZDQASA-N
MW541.41 g/mol
LogP3.84
Rot. Bonds8

About ethyl (E)-2-[N-(2,6-dimethylphenyl)-C-phenylselanylcarbonimidoyl]-3-phenylselanylprop-2-enoate

ethyl (E)-2-[N-(2,6-dimethylphenyl)-C-phenylselanylcarbonimidoyl]-3-phenylselanylprop-2-enoate (PubChem CID 11432683) has the molecular formula C26H25NO2Se2 and a molecular weight of 541.41 g/mol. Its IUPAC name is ethyl (E)-2-[N-(2,6-dimethylphenyl)-C-phenylselanylcarbonimidoyl]-3-phenylselanylprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-[N-(2,6-dimethylphenyl)-C-phenylselanylcarbonimidoyl]-3-phenylselanylprop-2-enoate
PubChem CID11432683
Molecular FormulaC26H25NO2Se2
Molecular Weight541.41 g/mol
Exact Mass543.02
IUPAC Nameethyl (E)-2-[N-(2,6-dimethylphenyl)-C-phenylselanylcarbonimidoyl]-3-phenylselanylprop-2-enoate
SMILESCCOC(=O)C(=C\[Se]c1ccccc1)/C(=N/c1c(C)cccc1C)[Se]c1ccccc1
InChIInChI=1S/C26H25NO2Se2/c1-4-29-26(28)23(18-30-21-14-7-5-8-15-21)25(31-22-16-9-6-10-17-22)27-24-19(2)12-11-13-20(24)3/h5-18H,4H2,1-3H3/b23-18-,27-25-
InChIKeyMKAIUJOPEKCNBV-FALKZDQASA-N
XLogP3.84
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.41
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (E)-2-[N-(2,6-dimethylphenyl)-C-phenylselanylcarbonimidoyl]-3-phenylselanylprop-2-enoate 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

diphenyl N,N'-bis(2,6-dimethylphenyl)ethanediimidoselenoate
CID 86204980
ethyl (E)-2-phenylselanylhex-2-enoate
CID 12631119
ethyl 3-(2,6-dimethylphenyl)imino-2-[hydroxy-(2,4,6-trimethylphenyl)methylidene]butanoate
CID 160842771
(Z)-2-ethoxycarbonyl-3-phenylprop-2-enoic acid
CID 643851
ethyl (E)-3-(3-chlorophenyl)-2-phenylselanylprop-2-enoate
CID 6110099
ethyl (2Z)-2-[(2,6-dimethylphenyl)methylidene]-3-oxobutanoate
CID 124860982
diethyl (E,7Z)-2-phenylselanyl-7-(phenylselanylmethylidene)oct-4-enedioate
CID 10674221
ethyl (2E)-2-(aminomethylidene)-4,4,4-trifluoro-3-phenyliminobutanoate
CID 169213573
1-O-ethyl 2-O-(2-methylphenyl) oxalate
CID 6422111
ethyl (E)-3-(4-methoxyphenyl)-2-phenylselanylprop-2-enoate
CID 6375627
diethyl 2-(phenylsulfanylmethylidene)propanedioate
CID 11208259
ethyl 2-(2,6-dimethylphenyl)-2-oxoacetate
CID 24722257

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-[N-(2,6-dimethylphenyl)-C-phenylselanylcarbonimidoyl]-3-phenylselanylprop-2-enoate?
The IUPAC name of ethyl (E)-2-[N-(2,6-dimethylphenyl)-C-phenylselanylcarbonimidoyl]-3-phenylselanylprop-2-enoate (CID 11432683) is ethyl (E)-2-[N-(2,6-dimethylphenyl)-C-phenylselanylcarbonimidoyl]-3-phenylselanylprop-2-enoate.
What is the SMILES notation for ethyl (E)-2-[N-(2,6-dimethylphenyl)-C-phenylselanylcarbonimidoyl]-3-phenylselanylprop-2-enoate?
The canonical SMILES for ethyl (E)-2-[N-(2,6-dimethylphenyl)-C-phenylselanylcarbonimidoyl]-3-phenylselanylprop-2-enoate is CCOC(=O)C(=C\[Se]c1ccccc1)/C(=N/c1c(C)cccc1C)[Se]c1ccccc1.
What is the InChIKey of ethyl (E)-2-[N-(2,6-dimethylphenyl)-C-phenylselanylcarbonimidoyl]-3-phenylselanylprop-2-enoate?
The InChIKey is MKAIUJOPEKCNBV-FALKZDQASA-N. The full InChI is InChI=1S/C26H25NO2Se2/c1-4-29-26(28)23(18-30-21-14-7-5-8-15-21)25(31-22-16-9-6-10-17-22)27-24-19(2)12-11-13-20(24)3/h5-18H,4H2,1-3H3/b23-18-,27-25-.
What are the key properties of ethyl (E)-2-[N-(2,6-dimethylphenyl)-C-phenylselanylcarbonimidoyl]-3-phenylselanylprop-2-enoate?
ethyl (E)-2-[N-(2,6-dimethylphenyl)-C-phenylselanylcarbonimidoyl]-3-phenylselanylprop-2-enoate has a molecular weight of 541.41 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-[N-(2,6-dimethylphenyl)-C-phenylselanylcarbonimidoyl]-3-phenylselanylprop-2-enoate is sourced from PubChem (CID 11432683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).