1-(5-naphthalen-2-yl-2,3-diphenylpyrrol-1-yl)ethanone

C28H21NO — CID 102525909

IUPAC1-(5-naphthalen-2-yl-2,3-diphenylpyrrol-1-yl)ethanone
SMILESCC(=O)n1c(-c2ccc3ccccc3c2)cc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C28H21NO/c1-20(30)29-27(25-17-16-21-10-8-9-15-24(21)18-25)19-26(22-11-4-2-5-12-22)28(29)23-13-6-3-7-14-23/h2-19H,1H3
InChIKeyBIPCUSYVGHOVKI-UHFFFAOYSA-N
MW387.48 g/mol
LogP7.30
Rot. Bonds3

About 1-(5-naphthalen-2-yl-2,3-diphenylpyrrol-1-yl)ethanone

1-(5-naphthalen-2-yl-2,3-diphenylpyrrol-1-yl)ethanone (PubChem CID 102525909) has the molecular formula C28H21NO and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-(5-naphthalen-2-yl-2,3-diphenylpyrrol-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-naphthalen-2-yl-2,3-diphenylpyrrol-1-yl)ethanone
PubChem CID102525909
Molecular FormulaC28H21NO
Molecular Weight387.48 g/mol
Exact Mass387.16
IUPAC Name1-(5-naphthalen-2-yl-2,3-diphenylpyrrol-1-yl)ethanone
SMILESCC(=O)n1c(-c2ccc3ccccc3c2)cc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C28H21NO/c1-20(30)29-27(25-17-16-21-10-8-9-15-24(21)18-25)19-26(22-11-4-2-5-12-22)28(29)23-13-6-3-7-14-23/h2-19H,1H3
InChIKeyBIPCUSYVGHOVKI-UHFFFAOYSA-N
XLogP7.30
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3,5-triphenylpyrrol-1-yl)ethanone
CID 102223207
1-[2,3-bis(4-bromophenyl)-5-phenylpyrrol-1-yl]ethanone
CID 102223215
tert-butyl 2,3,5-triphenylpyrrole-1-carboxylate
CID 101458521
1-(2-methyl-5-naphthalen-2-yl-1-phenylpyrrol-3-yl)ethanone
CID 132600497
2-(3,4,5-triphenylphenyl)naphthalene
CID 54408952
1-[2-(1-methyl-2-phenylindol-3-yl)indol-1-yl]ethanone
CID 134952924
2-(2-naphthalen-2-yl-6-phenylphenyl)acetic acid
CID 69422922
2-(4-naphthalen-2-yl-2-oxo-1,3-thiazol-3-yl)acetic acid
CID 43243749
N-(2-naphthalen-2-ylnaphthalen-1-yl)acetamide
CID 101477618
4-(2-naphthalen-2-ylindol-1-yl)butan-2-one
CID 11370420
2-methyl-2-(5-naphthalen-2-yltriazol-1-yl)propanoic acid
CID 82222150
1-[2-methyl-1-(4-methylphenyl)-5-naphthalen-2-ylpyrrol-3-yl]ethanone
CID 132600501

Frequently Asked Questions

What is the IUPAC name of 1-(5-naphthalen-2-yl-2,3-diphenylpyrrol-1-yl)ethanone?
The IUPAC name of 1-(5-naphthalen-2-yl-2,3-diphenylpyrrol-1-yl)ethanone (CID 102525909) is 1-(5-naphthalen-2-yl-2,3-diphenylpyrrol-1-yl)ethanone.
What is the SMILES notation for 1-(5-naphthalen-2-yl-2,3-diphenylpyrrol-1-yl)ethanone?
The canonical SMILES for 1-(5-naphthalen-2-yl-2,3-diphenylpyrrol-1-yl)ethanone is CC(=O)n1c(-c2ccc3ccccc3c2)cc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-(5-naphthalen-2-yl-2,3-diphenylpyrrol-1-yl)ethanone?
The InChIKey is BIPCUSYVGHOVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21NO/c1-20(30)29-27(25-17-16-21-10-8-9-15-24(21)18-25)19-26(22-11-4-2-5-12-22)28(29)23-13-6-3-7-14-23/h2-19H,1H3.
What are the key properties of 1-(5-naphthalen-2-yl-2,3-diphenylpyrrol-1-yl)ethanone?
1-(5-naphthalen-2-yl-2,3-diphenylpyrrol-1-yl)ethanone has a molecular weight of 387.48 g/mol, XLogP of 7.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-naphthalen-2-yl-2,3-diphenylpyrrol-1-yl)ethanone is sourced from PubChem (CID 102525909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).