2-(4-bromophenyl)-5-(3-nitrosophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole

C23H14BrF3N2O — CID 142461436

IUPAC2-(4-bromophenyl)-5-(3-nitrosophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole
SMILESO=Nc1cccc(-c2ccc(-c3ccc(Br)cc3)n2-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C23H14BrF3N2O/c24-17-10-8-15(9-11-17)20-12-13-21(16-4-3-5-18(14-16)28-30)29(20)22-7-2-1-6-19(22)23(25,26)27/h1-14H
InChIKeyVWZLKVCFQRBOSV-UHFFFAOYSA-N
MW471.28 g/mol
LogP7.99
Rot. Bonds4

About 2-(4-bromophenyl)-5-(3-nitrosophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole

2-(4-bromophenyl)-5-(3-nitrosophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole (PubChem CID 142461436) has the molecular formula C23H14BrF3N2O and a molecular weight of 471.28 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-(3-nitrosophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-(3-nitrosophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole
PubChem CID142461436
Molecular FormulaC23H14BrF3N2O
Molecular Weight471.28 g/mol
Exact Mass470.02
IUPAC Name2-(4-bromophenyl)-5-(3-nitrosophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole
SMILESO=Nc1cccc(-c2ccc(-c3ccc(Br)cc3)n2-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C23H14BrF3N2O/c24-17-10-8-15(9-11-17)20-12-13-21(16-4-3-5-18(14-16)28-30)29(20)22-7-2-1-6-19(22)23(25,26)27/h1-14H
InChIKeyVWZLKVCFQRBOSV-UHFFFAOYSA-N
XLogP7.99
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.28
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenyl)-5-(3-nitrosophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-Bromo-5-(trifluoromethyl)phenyl]-2,5-dimethylpyrrole
CID 108130320
1-(4-Nitro-3-(trifluoromethyl)phenyl)-2,5diphenyl-1h-pyrrole
CID 154926495
2-(4-Bromophenyl)-4-(4-fluorophenyl)-5-methyl-3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole
CID 164674531
3-(4-Bromophenyl)-2-(2,4-dinitrophenyl)-1-methyl-5-(trifluoromethyl)pyrrole
CID 164682028
9-[3-(4-Bromo-2,5-difluorophenyl)-4-nitrophenyl]carbazole
CID 59147018
9-[3-(2-Bromo-3,6-difluorophenyl)-4-nitrophenyl]carbazole
CID 59147293
9-[3-(5-Bromo-2,4-difluorophenyl)-4-nitrophenyl]carbazole
CID 59147365
2-Bromo-9-(4-fluorophenyl)carbazole
CID 89567085
2,5-Diphenyl-1-[3-(trifluoromethyl)phenyl]pyrrole
CID 101523118
2-Bromo-3-fluoro-9-phenylcarbazole
CID 134598348
3-[6-bromo-4-(trifluoromethyl)pyridin-2-yl]-N,N-diphenylaniline
CID 135315174
3-[5-(4-Bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]aniline
CID 135368279

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-(3-nitrosophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole?
The IUPAC name of 2-(4-bromophenyl)-5-(3-nitrosophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole (CID 142461436) is 2-(4-bromophenyl)-5-(3-nitrosophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole.
What is the SMILES notation for 2-(4-bromophenyl)-5-(3-nitrosophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole?
The canonical SMILES for 2-(4-bromophenyl)-5-(3-nitrosophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole is O=Nc1cccc(-c2ccc(-c3ccc(Br)cc3)n2-c2ccccc2C(F)(F)F)c1.
What is the InChIKey of 2-(4-bromophenyl)-5-(3-nitrosophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole?
The InChIKey is VWZLKVCFQRBOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14BrF3N2O/c24-17-10-8-15(9-11-17)20-12-13-21(16-4-3-5-18(14-16)28-30)29(20)22-7-2-1-6-19(22)23(25,26)27/h1-14H.
What are the key properties of 2-(4-bromophenyl)-5-(3-nitrosophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole?
2-(4-bromophenyl)-5-(3-nitrosophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole has a molecular weight of 471.28 g/mol, XLogP of 7.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-(3-nitrosophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole is sourced from PubChem (CID 142461436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).