1-[2,3-bis(4-bromophenyl)-5-phenylpyrrol-1-yl]ethanone

C24H17Br2NO — CID 102223215

IUPAC1-[2,3-bis(4-bromophenyl)-5-phenylpyrrol-1-yl]ethanone
SMILESCC(=O)n1c(-c2ccccc2)cc(-c2ccc(Br)cc2)c1-c1ccc(Br)cc1
InChIInChI=1S/C24H17Br2NO/c1-16(28)27-23(18-5-3-2-4-6-18)15-22(17-7-11-20(25)12-8-17)24(27)19-9-13-21(26)14-10-19/h2-15H,1H3
InChIKeyOOJCBDPMFQFUBY-UHFFFAOYSA-N
MW495.21 g/mol
LogP7.67
Rot. Bonds3

About 1-[2,3-bis(4-bromophenyl)-5-phenylpyrrol-1-yl]ethanone

1-[2,3-bis(4-bromophenyl)-5-phenylpyrrol-1-yl]ethanone (PubChem CID 102223215) has the molecular formula C24H17Br2NO and a molecular weight of 495.21 g/mol. Its IUPAC name is 1-[2,3-bis(4-bromophenyl)-5-phenylpyrrol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2,3-bis(4-bromophenyl)-5-phenylpyrrol-1-yl]ethanone
PubChem CID102223215
Molecular FormulaC24H17Br2NO
Molecular Weight495.21 g/mol
Exact Mass492.97
IUPAC Name1-[2,3-bis(4-bromophenyl)-5-phenylpyrrol-1-yl]ethanone
SMILESCC(=O)n1c(-c2ccccc2)cc(-c2ccc(Br)cc2)c1-c1ccc(Br)cc1
InChIInChI=1S/C24H17Br2NO/c1-16(28)27-23(18-5-3-2-4-6-18)15-22(17-7-11-20(25)12-8-17)24(27)19-9-13-21(26)14-10-19/h2-15H,1H3
InChIKeyOOJCBDPMFQFUBY-UHFFFAOYSA-N
XLogP7.67
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.21
LogP ≤ 57.67
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-(5-naphthalen-2-yl-2,3-diphenylpyrrol-1-yl)ethanone
CID 102525909
tert-butyl 2,3,5-triphenylpyrrole-1-carboxylate
CID 101458521
1-acetyl-6-(4-bromophenyl)-4-(1-methylpyrrol-2-yl)-2-oxopyridine-3-carbonitrile
CID 45029473
N-(5-bromo-2-phenylphenyl)acetamide
CID 139240765
4-[1-(4-bromophenyl)-5-methyl-3-phenylpyrrol-2-yl]phenol
CID 22387406
1-(6-bromo-9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone
CID 102336520
1-methyl-5-(4-nitrophenyl)-2,3-diphenylpyrrole
CID 15163333
2-(4-methylphenyl)-1,3,5-triphenylpyrrole
CID 6710391
3-(4-methylphenyl)-1,2,5-triphenylpyrrole
CID 11851226
3-(4-bromophenyl)-4-methyl-1-phenyl-4H-pyrrolo[1,2-a]indole
CID 139236548
1-(5-chloro-2-phenylindol-1-yl)ethanone
CID 14493114

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-bis(4-bromophenyl)-5-phenylpyrrol-1-yl]ethanone?
The IUPAC name of 1-[2,3-bis(4-bromophenyl)-5-phenylpyrrol-1-yl]ethanone (CID 102223215) is 1-[2,3-bis(4-bromophenyl)-5-phenylpyrrol-1-yl]ethanone.
What is the SMILES notation for 1-[2,3-bis(4-bromophenyl)-5-phenylpyrrol-1-yl]ethanone?
The canonical SMILES for 1-[2,3-bis(4-bromophenyl)-5-phenylpyrrol-1-yl]ethanone is CC(=O)n1c(-c2ccccc2)cc(-c2ccc(Br)cc2)c1-c1ccc(Br)cc1.
What is the InChIKey of 1-[2,3-bis(4-bromophenyl)-5-phenylpyrrol-1-yl]ethanone?
The InChIKey is OOJCBDPMFQFUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Br2NO/c1-16(28)27-23(18-5-3-2-4-6-18)15-22(17-7-11-20(25)12-8-17)24(27)19-9-13-21(26)14-10-19/h2-15H,1H3.
What are the key properties of 1-[2,3-bis(4-bromophenyl)-5-phenylpyrrol-1-yl]ethanone?
1-[2,3-bis(4-bromophenyl)-5-phenylpyrrol-1-yl]ethanone has a molecular weight of 495.21 g/mol, XLogP of 7.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-bis(4-bromophenyl)-5-phenylpyrrol-1-yl]ethanone is sourced from PubChem (CID 102223215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).