1-(2,3,5-triphenylpyrrol-1-yl)ethanone

C24H19NO — CID 102223207

IUPAC1-(2,3,5-triphenylpyrrol-1-yl)ethanone
SMILESCC(=O)n1c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H19NO/c1-18(26)25-23(20-13-7-3-8-14-20)17-22(19-11-5-2-6-12-19)24(25)21-15-9-4-10-16-21/h2-17H,1H3
InChIKeyCRMGEKUYVAEECU-UHFFFAOYSA-N
MW337.42 g/mol
LogP6.15
Rot. Bonds3

About 1-(2,3,5-triphenylpyrrol-1-yl)ethanone

1-(2,3,5-triphenylpyrrol-1-yl)ethanone (PubChem CID 102223207) has the molecular formula C24H19NO and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(2,3,5-triphenylpyrrol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,3,5-triphenylpyrrol-1-yl)ethanone
PubChem CID102223207
Molecular FormulaC24H19NO
Molecular Weight337.42 g/mol
Exact Mass337.15
IUPAC Name1-(2,3,5-triphenylpyrrol-1-yl)ethanone
SMILESCC(=O)n1c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H19NO/c1-18(26)25-23(20-13-7-3-8-14-20)17-22(19-11-5-2-6-12-19)24(25)21-15-9-4-10-16-21/h2-17H,1H3
InChIKeyCRMGEKUYVAEECU-UHFFFAOYSA-N
XLogP6.15
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.42
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2,3-bis(4-bromophenyl)-5-phenylpyrrol-1-yl]ethanone
CID 102223215
1-(5-naphthalen-2-yl-2,3-diphenylpyrrol-1-yl)ethanone
CID 102525909
tert-butyl 2,3,5-triphenylpyrrole-1-carboxylate
CID 101458521
1-(5-chloro-2-phenylindol-1-yl)ethanone
CID 14493114
1-(2-methylimino-4-phenyl-1,3-thiazol-3-yl)ethanone
CID 56972521
1-methyl-5-(4-nitrophenyl)-2,3-diphenylpyrrole
CID 15163333
3-(4-methylphenyl)-1,2,5-triphenylpyrrole
CID 11851226
2-(4-methylphenyl)-1,3,5-triphenylpyrrole
CID 6710391
1-[2-(1-methyl-2-phenylindol-3-yl)indol-1-yl]ethanone
CID 134952924
1-(3-amino-5-phenylpyrazol-1-yl)ethanone
CID 110868177
1-[4-(1-methyl-5-phenyl-4-pyridin-4-ylpyrrol-2-yl)piperidin-1-yl]ethanone
CID 20687144
1-methyl-6-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxylic acid
CID 14075377

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5-triphenylpyrrol-1-yl)ethanone?
The IUPAC name of 1-(2,3,5-triphenylpyrrol-1-yl)ethanone (CID 102223207) is 1-(2,3,5-triphenylpyrrol-1-yl)ethanone.
What is the SMILES notation for 1-(2,3,5-triphenylpyrrol-1-yl)ethanone?
The canonical SMILES for 1-(2,3,5-triphenylpyrrol-1-yl)ethanone is CC(=O)n1c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-(2,3,5-triphenylpyrrol-1-yl)ethanone?
The InChIKey is CRMGEKUYVAEECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO/c1-18(26)25-23(20-13-7-3-8-14-20)17-22(19-11-5-2-6-12-19)24(25)21-15-9-4-10-16-21/h2-17H,1H3.
What are the key properties of 1-(2,3,5-triphenylpyrrol-1-yl)ethanone?
1-(2,3,5-triphenylpyrrol-1-yl)ethanone has a molecular weight of 337.42 g/mol, XLogP of 6.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5-triphenylpyrrol-1-yl)ethanone is sourced from PubChem (CID 102223207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).