2,3,5,6-tetraphenyl-1-propylpyridin-4-one

C32H27NO — CID 73057320

IUPAC2,3,5,6-tetraphenyl-1-propylpyridin-4-one
SMILESCCCn1c(-c2ccccc2)c(-c2ccccc2)c(=O)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C32H27NO/c1-2-23-33-30(26-19-11-5-12-20-26)28(24-15-7-3-8-16-24)32(34)29(25-17-9-4-10-18-25)31(33)27-21-13-6-14-22-27/h3-22H,2,23H2,1H3
InChIKeyLAKSKKZRFIBWPC-UHFFFAOYSA-N
MW441.57 g/mol
LogP7.93
Rot. Bonds6

About 2,3,5,6-tetraphenyl-1-propylpyridin-4-one

2,3,5,6-tetraphenyl-1-propylpyridin-4-one (PubChem CID 73057320) has the molecular formula C32H27NO and a molecular weight of 441.57 g/mol. Its IUPAC name is 2,3,5,6-tetraphenyl-1-propylpyridin-4-one.

Molecular Properties

Compound Name2,3,5,6-tetraphenyl-1-propylpyridin-4-one
PubChem CID73057320
Molecular FormulaC32H27NO
Molecular Weight441.57 g/mol
Exact Mass441.21
IUPAC Name2,3,5,6-tetraphenyl-1-propylpyridin-4-one
SMILESCCCn1c(-c2ccccc2)c(-c2ccccc2)c(=O)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C32H27NO/c1-2-23-33-30(26-19-11-5-12-20-26)28(24-15-7-3-8-16-24)32(34)29(25-17-9-4-10-18-25)31(33)27-21-13-6-14-22-27/h3-22H,2,23H2,1H3
InChIKeyLAKSKKZRFIBWPC-UHFFFAOYSA-N
XLogP7.93
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.57
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-6-phenyl-1-propylpyrazin-2-one
CID 102534412
3-methyl-2,6-diphenyl-1-propylpyridin-4-one
CID 14517569
3-(2-hydroxypropan-2-yl)-6-phenyl-1-propylpyridin-2-one
CID 82521239
(4,5-diphenyl-1-propylpyrrol-3-yl)-trimethylsilane
CID 11110405
1,3-dimethyl-5,6-diphenylpyrimidine-2,4-dione
CID 576581
1-(4-amino-2-methyl-5-phenyl-1-propylpyrrol-3-yl)ethanone
CID 12789006
3-phenyl-2-propylisoquinolin-1-one
CID 102338692
1,8-dimethyl-2,3-diphenylquinolin-4-one
CID 166440034
2-(1-butyl-2-methyl-4,5-diphenylpyrrol-3-yl)acetic acid
CID 10066284
3-chloro-4-phenyl-1-propylpyrrole-2,5-dione
CID 110583431
1,1-dioxo-9-phenyl-7-propyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazine-6,8-dione
CID 15027600
4,5-diphenyl-1-propylimidazole
CID 14950648

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetraphenyl-1-propylpyridin-4-one?
The IUPAC name of 2,3,5,6-tetraphenyl-1-propylpyridin-4-one (CID 73057320) is 2,3,5,6-tetraphenyl-1-propylpyridin-4-one.
What is the SMILES notation for 2,3,5,6-tetraphenyl-1-propylpyridin-4-one?
The canonical SMILES for 2,3,5,6-tetraphenyl-1-propylpyridin-4-one is CCCn1c(-c2ccccc2)c(-c2ccccc2)c(=O)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2,3,5,6-tetraphenyl-1-propylpyridin-4-one?
The InChIKey is LAKSKKZRFIBWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27NO/c1-2-23-33-30(26-19-11-5-12-20-26)28(24-15-7-3-8-16-24)32(34)29(25-17-9-4-10-18-25)31(33)27-21-13-6-14-22-27/h3-22H,2,23H2,1H3.
What are the key properties of 2,3,5,6-tetraphenyl-1-propylpyridin-4-one?
2,3,5,6-tetraphenyl-1-propylpyridin-4-one has a molecular weight of 441.57 g/mol, XLogP of 7.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetraphenyl-1-propylpyridin-4-one is sourced from PubChem (CID 73057320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).