(4-methylphenyl) (E)-N-(2,6-dimethylphenyl)-2-oxo-5-phenylpent-4-enimidotelluroate

C26H25NOTe — CID 134920254

IUPAC(4-methylphenyl) (E)-N-(2,6-dimethylphenyl)-2-oxo-5-phenylpent-4-enimidotelluroate
SMILESCc1ccc([Te]/C(=N\c2c(C)cccc2C)C(=O)C/C=C/c2ccccc2)cc1
InChIInChI=1S/C26H25NOTe/c1-19-15-17-23(18-16-19)29-26(27-25-20(2)9-7-10-21(25)3)24(28)14-8-13-22-11-5-4-6-12-22/h4-13,15-18H,14H2,1-3H3/b13-8+,27-26-
InChIKeyGFCWUTAIBRCQEB-KNGQAUQJSA-N
MW495.09 g/mol
LogP5.34
Rot. Bonds7

About (4-methylphenyl) (E)-N-(2,6-dimethylphenyl)-2-oxo-5-phenylpent-4-enimidotelluroate

(4-methylphenyl) (E)-N-(2,6-dimethylphenyl)-2-oxo-5-phenylpent-4-enimidotelluroate (PubChem CID 134920254) has the molecular formula C26H25NOTe and a molecular weight of 495.09 g/mol. Its IUPAC name is (4-methylphenyl) (E)-N-(2,6-dimethylphenyl)-2-oxo-5-phenylpent-4-enimidotelluroate.

Molecular Properties

Compound Name(4-methylphenyl) (E)-N-(2,6-dimethylphenyl)-2-oxo-5-phenylpent-4-enimidotelluroate
PubChem CID134920254
Molecular FormulaC26H25NOTe
Molecular Weight495.09 g/mol
Exact Mass497.10
IUPAC Name(4-methylphenyl) (E)-N-(2,6-dimethylphenyl)-2-oxo-5-phenylpent-4-enimidotelluroate
SMILESCc1ccc([Te]/C(=N\c2c(C)cccc2C)C(=O)C/C=C/c2ccccc2)cc1
InChIInChI=1S/C26H25NOTe/c1-19-15-17-23(18-16-19)29-26(27-25-20(2)9-7-10-21(25)3)24(28)14-8-13-22-11-5-4-6-12-22/h4-13,15-18H,14H2,1-3H3/b13-8+,27-26-
InChIKeyGFCWUTAIBRCQEB-KNGQAUQJSA-N
XLogP5.34
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.09
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) (E)-N-(2,6-dimethylphenyl)-2-oxo-5-phenylpent-4-enimidotelluroate?
The IUPAC name of (4-methylphenyl) (E)-N-(2,6-dimethylphenyl)-2-oxo-5-phenylpent-4-enimidotelluroate (CID 134920254) is (4-methylphenyl) (E)-N-(2,6-dimethylphenyl)-2-oxo-5-phenylpent-4-enimidotelluroate.
What is the SMILES notation for (4-methylphenyl) (E)-N-(2,6-dimethylphenyl)-2-oxo-5-phenylpent-4-enimidotelluroate?
The canonical SMILES for (4-methylphenyl) (E)-N-(2,6-dimethylphenyl)-2-oxo-5-phenylpent-4-enimidotelluroate is Cc1ccc([Te]/C(=N\c2c(C)cccc2C)C(=O)C/C=C/c2ccccc2)cc1.
What is the InChIKey of (4-methylphenyl) (E)-N-(2,6-dimethylphenyl)-2-oxo-5-phenylpent-4-enimidotelluroate?
The InChIKey is GFCWUTAIBRCQEB-KNGQAUQJSA-N. The full InChI is InChI=1S/C26H25NOTe/c1-19-15-17-23(18-16-19)29-26(27-25-20(2)9-7-10-21(25)3)24(28)14-8-13-22-11-5-4-6-12-22/h4-13,15-18H,14H2,1-3H3/b13-8+,27-26-.
What are the key properties of (4-methylphenyl) (E)-N-(2,6-dimethylphenyl)-2-oxo-5-phenylpent-4-enimidotelluroate?
(4-methylphenyl) (E)-N-(2,6-dimethylphenyl)-2-oxo-5-phenylpent-4-enimidotelluroate has a molecular weight of 495.09 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) (E)-N-(2,6-dimethylphenyl)-2-oxo-5-phenylpent-4-enimidotelluroate is sourced from PubChem (CID 134920254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).