1-[(4-tert-butylphenyl)methyl]-3,3-diphenyl-2H-pyridin-6-one

C28H29NO — CID 101414265

IUPAC1-[(4-tert-butylphenyl)methyl]-3,3-diphenyl-2H-pyridin-6-one
SMILESCC(C)(C)c1ccc(CN2CC(c3ccccc3)(c3ccccc3)C=CC2=O)cc1
InChIInChI=1S/C28H29NO/c1-27(2,3)23-16-14-22(15-17-23)20-29-21-28(19-18-26(29)30,24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-19H,20-21H2,1-3H3
InChIKeyOFWRUJZHNRLELC-UHFFFAOYSA-N
MW395.55 g/mol
LogP5.87
Rot. Bonds4

About 1-[(4-tert-butylphenyl)methyl]-3,3-diphenyl-2H-pyridin-6-one

1-[(4-tert-butylphenyl)methyl]-3,3-diphenyl-2H-pyridin-6-one (PubChem CID 101414265) has the molecular formula C28H29NO and a molecular weight of 395.55 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)methyl]-3,3-diphenyl-2H-pyridin-6-one.

Molecular Properties

Compound Name1-[(4-tert-butylphenyl)methyl]-3,3-diphenyl-2H-pyridin-6-one
PubChem CID101414265
Molecular FormulaC28H29NO
Molecular Weight395.55 g/mol
Exact Mass395.22
IUPAC Name1-[(4-tert-butylphenyl)methyl]-3,3-diphenyl-2H-pyridin-6-one
SMILESCC(C)(C)c1ccc(CN2CC(c3ccccc3)(c3ccccc3)C=CC2=O)cc1
InChIInChI=1S/C28H29NO/c1-27(2,3)23-16-14-22(15-17-23)20-29-21-28(19-18-26(29)30,24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-19H,20-21H2,1-3H3
InChIKeyOFWRUJZHNRLELC-UHFFFAOYSA-N
XLogP5.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-tert-butylphenyl)methyl]-1,3-diazinane-2,4-dione
CID 73198120
(5S)-3-[(4-tert-butylphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 25465314
3,3-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-one
CID 63602482
(5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7917027
1-[(4-tert-butylphenyl)methyl]-2H-1,4-benzodiazepin-3-one
CID 70161624
1-(benzenesulfonyl)-4-[(4-tert-butylphenyl)methyl]piperazine
CID 17349681
1-[(4-tert-butylphenyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 168708017
1-[(4-tert-butylphenyl)methyl]-4-hydroxypyrrolidin-2-one
CID 168701837
(3S)-1-benzyl-3-ethyl-3-fluoroazetidin-2-one
CID 101455407
(5R)-9-[(4-tert-butylphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95524921
1-benzyl-3-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one
CID 53083205
1,4-dibenzyl-6-ethyl-6-phenyl-1,4-diazepane-5,7-dione
CID 11971389

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenyl)methyl]-3,3-diphenyl-2H-pyridin-6-one?
The IUPAC name of 1-[(4-tert-butylphenyl)methyl]-3,3-diphenyl-2H-pyridin-6-one (CID 101414265) is 1-[(4-tert-butylphenyl)methyl]-3,3-diphenyl-2H-pyridin-6-one.
What is the SMILES notation for 1-[(4-tert-butylphenyl)methyl]-3,3-diphenyl-2H-pyridin-6-one?
The canonical SMILES for 1-[(4-tert-butylphenyl)methyl]-3,3-diphenyl-2H-pyridin-6-one is CC(C)(C)c1ccc(CN2CC(c3ccccc3)(c3ccccc3)C=CC2=O)cc1.
What is the InChIKey of 1-[(4-tert-butylphenyl)methyl]-3,3-diphenyl-2H-pyridin-6-one?
The InChIKey is OFWRUJZHNRLELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO/c1-27(2,3)23-16-14-22(15-17-23)20-29-21-28(19-18-26(29)30,24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-19H,20-21H2,1-3H3.
What are the key properties of 1-[(4-tert-butylphenyl)methyl]-3,3-diphenyl-2H-pyridin-6-one?
1-[(4-tert-butylphenyl)methyl]-3,3-diphenyl-2H-pyridin-6-one has a molecular weight of 395.55 g/mol, XLogP of 5.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylphenyl)methyl]-3,3-diphenyl-2H-pyridin-6-one is sourced from PubChem (CID 101414265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).