1-(4-tert-butylphenyl)-2-phenyl-2-pyridin-2-ylethanone

C23H23NO — CID 90680432

IUPAC1-(4-tert-butylphenyl)-2-phenyl-2-pyridin-2-ylethanone
SMILESCC(C)(C)c1ccc(C(=O)C(c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C23H23NO/c1-23(2,3)19-14-12-18(13-15-19)22(25)21(17-9-5-4-6-10-17)20-11-7-8-16-24-20/h4-16,21H,1-3H3
InChIKeyBZOPDTUTPJPDMO-UHFFFAOYSA-N
MW329.44 g/mol
LogP5.39
Rot. Bonds4

About 1-(4-tert-butylphenyl)-2-phenyl-2-pyridin-2-ylethanone

1-(4-tert-butylphenyl)-2-phenyl-2-pyridin-2-ylethanone (PubChem CID 90680432) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-phenyl-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-phenyl-2-pyridin-2-ylethanone
PubChem CID90680432
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name1-(4-tert-butylphenyl)-2-phenyl-2-pyridin-2-ylethanone
SMILESCC(C)(C)c1ccc(C(=O)C(c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C23H23NO/c1-23(2,3)19-14-12-18(13-15-19)22(25)21(17-9-5-4-6-10-17)20-11-7-8-16-24-20/h4-16,21H,1-3H3
InChIKeyBZOPDTUTPJPDMO-UHFFFAOYSA-N
XLogP5.39
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-phenyl-2-pyridin-2-ylethanone?
The IUPAC name of 1-(4-tert-butylphenyl)-2-phenyl-2-pyridin-2-ylethanone (CID 90680432) is 1-(4-tert-butylphenyl)-2-phenyl-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-phenyl-2-pyridin-2-ylethanone?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-phenyl-2-pyridin-2-ylethanone is CC(C)(C)c1ccc(C(=O)C(c2ccccc2)c2ccccn2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-phenyl-2-pyridin-2-ylethanone?
The InChIKey is BZOPDTUTPJPDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c1-23(2,3)19-14-12-18(13-15-19)22(25)21(17-9-5-4-6-10-17)20-11-7-8-16-24-20/h4-16,21H,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-phenyl-2-pyridin-2-ylethanone?
1-(4-tert-butylphenyl)-2-phenyl-2-pyridin-2-ylethanone has a molecular weight of 329.44 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-phenyl-2-pyridin-2-ylethanone is sourced from PubChem (CID 90680432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).