1-(2-methyl-5-naphthalen-2-yl-1-phenylpyrrol-3-yl)ethanone

C23H19NO — CID 132600497

IUPAC1-(2-methyl-5-naphthalen-2-yl-1-phenylpyrrol-3-yl)ethanone
SMILESCC(=O)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)c1C
InChIInChI=1S/C23H19NO/c1-16-22(17(2)25)15-23(24(16)21-10-4-3-5-11-21)20-13-12-18-8-6-7-9-19(18)14-20/h3-15H,1-2H3
InChIKeyYQFWVXARPSWLRP-UHFFFAOYSA-N
MW325.41 g/mol
LogP5.81
Rot. Bonds3

About 1-(2-methyl-5-naphthalen-2-yl-1-phenylpyrrol-3-yl)ethanone

1-(2-methyl-5-naphthalen-2-yl-1-phenylpyrrol-3-yl)ethanone (PubChem CID 132600497) has the molecular formula C23H19NO and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-(2-methyl-5-naphthalen-2-yl-1-phenylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-5-naphthalen-2-yl-1-phenylpyrrol-3-yl)ethanone
PubChem CID132600497
Molecular FormulaC23H19NO
Molecular Weight325.41 g/mol
Exact Mass325.15
IUPAC Name1-(2-methyl-5-naphthalen-2-yl-1-phenylpyrrol-3-yl)ethanone
SMILESCC(=O)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)c1C
InChIInChI=1S/C23H19NO/c1-16-22(17(2)25)15-23(24(16)21-10-4-3-5-11-21)20-13-12-18-8-6-7-9-19(18)14-20/h3-15H,1-2H3
InChIKeyYQFWVXARPSWLRP-UHFFFAOYSA-N
XLogP5.81
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.41
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Related Compounds

1-[2-methyl-1-(4-methylphenyl)-5-naphthalen-2-ylpyrrol-3-yl]ethanone
CID 132600501
1-[1-(4-chlorophenyl)-2-methyl-5-naphthalen-2-ylpyrrol-3-yl]ethanone
CID 132600498
1-[1-(4-bromophenyl)-5-(3,4-dimethylphenyl)-2-methylpyrrol-3-yl]ethanone
CID 134195045
1-[4-[5-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carbonyl]piperazin-1-yl]ethanone
CID 7231152
[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-(4-methylphenyl)methanone
CID 141193496
1,2-dinaphthalen-2-yl-6-(2-naphthalen-2-yl-1-phenylindol-5-yl)indole
CID 144508733
3-[4-acetyl-1-(4-chlorophenyl)-5-methylpyrrol-2-yl]chromen-2-one
CID 102442482
ethyl 2-[(E)-1-[5-(4-methoxyphenyl)-2-methyl-1-phenylpyrrol-3-yl]ethylideneamino]oxyacetate
CID 7202178
5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propan-2-ylpyrrole-3-carboxamide
CID 7213689
[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-(4-methylphenyl)methanone;sulfane
CID 174584784
ethyl 5-(4-bromophenyl)-2-methyl-1-phenylpyrrole-3-carboxylate
CID 14339198
1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxylic acid
CID 58358774

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-naphthalen-2-yl-1-phenylpyrrol-3-yl)ethanone?
The IUPAC name of 1-(2-methyl-5-naphthalen-2-yl-1-phenylpyrrol-3-yl)ethanone (CID 132600497) is 1-(2-methyl-5-naphthalen-2-yl-1-phenylpyrrol-3-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-5-naphthalen-2-yl-1-phenylpyrrol-3-yl)ethanone?
The canonical SMILES for 1-(2-methyl-5-naphthalen-2-yl-1-phenylpyrrol-3-yl)ethanone is CC(=O)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)c1C.
What is the InChIKey of 1-(2-methyl-5-naphthalen-2-yl-1-phenylpyrrol-3-yl)ethanone?
The InChIKey is YQFWVXARPSWLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO/c1-16-22(17(2)25)15-23(24(16)21-10-4-3-5-11-21)20-13-12-18-8-6-7-9-19(18)14-20/h3-15H,1-2H3.
What are the key properties of 1-(2-methyl-5-naphthalen-2-yl-1-phenylpyrrol-3-yl)ethanone?
1-(2-methyl-5-naphthalen-2-yl-1-phenylpyrrol-3-yl)ethanone has a molecular weight of 325.41 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-naphthalen-2-yl-1-phenylpyrrol-3-yl)ethanone is sourced from PubChem (CID 132600497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).