5-[(3-ethylphenyl)-diphenylmethyl]-1H-pyridin-2-one

C26H23NO — CID 21333295

IUPAC5-[(3-ethylphenyl)-diphenylmethyl]-1H-pyridin-2-one
SMILESCCc1cccc(C(c2ccccc2)(c2ccccc2)c2ccc(=O)[nH]c2)c1
InChIInChI=1S/C26H23NO/c1-2-20-10-9-15-23(18-20)26(21-11-5-3-6-12-21,22-13-7-4-8-14-22)24-16-17-25(28)27-19-24/h3-19H,2H2,1H3,(H,27,28)
InChIKeySKQCDCZEUIYBFS-UHFFFAOYSA-N
MW365.48 g/mol
LogP5.32
Rot. Bonds5

About 5-[(3-ethylphenyl)-diphenylmethyl]-1H-pyridin-2-one

5-[(3-ethylphenyl)-diphenylmethyl]-1H-pyridin-2-one (PubChem CID 21333295) has the molecular formula C26H23NO and a molecular weight of 365.48 g/mol. Its IUPAC name is 5-[(3-ethylphenyl)-diphenylmethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(3-ethylphenyl)-diphenylmethyl]-1H-pyridin-2-one
PubChem CID21333295
Molecular FormulaC26H23NO
Molecular Weight365.48 g/mol
Exact Mass365.18
IUPAC Name5-[(3-ethylphenyl)-diphenylmethyl]-1H-pyridin-2-one
SMILESCCc1cccc(C(c2ccccc2)(c2ccccc2)c2ccc(=O)[nH]c2)c1
InChIInChI=1S/C26H23NO/c1-2-20-10-9-15-23(18-20)26(21-11-5-3-6-12-21,22-13-7-4-8-14-22)24-16-17-25(28)27-19-24/h3-19H,2H2,1H3,(H,27,28)
InChIKeySKQCDCZEUIYBFS-UHFFFAOYSA-N
XLogP5.32
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethylphenyl)-diphenylmethyl]-1H-pyridin-2-one?
The IUPAC name of 5-[(3-ethylphenyl)-diphenylmethyl]-1H-pyridin-2-one (CID 21333295) is 5-[(3-ethylphenyl)-diphenylmethyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[(3-ethylphenyl)-diphenylmethyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[(3-ethylphenyl)-diphenylmethyl]-1H-pyridin-2-one is CCc1cccc(C(c2ccccc2)(c2ccccc2)c2ccc(=O)[nH]c2)c1.
What is the InChIKey of 5-[(3-ethylphenyl)-diphenylmethyl]-1H-pyridin-2-one?
The InChIKey is SKQCDCZEUIYBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO/c1-2-20-10-9-15-23(18-20)26(21-11-5-3-6-12-21,22-13-7-4-8-14-22)24-16-17-25(28)27-19-24/h3-19H,2H2,1H3,(H,27,28).
What are the key properties of 5-[(3-ethylphenyl)-diphenylmethyl]-1H-pyridin-2-one?
5-[(3-ethylphenyl)-diphenylmethyl]-1H-pyridin-2-one has a molecular weight of 365.48 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethylphenyl)-diphenylmethyl]-1H-pyridin-2-one is sourced from PubChem (CID 21333295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).