3-(4-bromophenyl)-4-methyl-1-phenyl-4H-pyrrolo[1,2-a]indole

C24H18BrN — CID 139236548

IUPAC3-(4-bromophenyl)-4-methyl-1-phenyl-4H-pyrrolo[1,2-a]indole
SMILESCC1c2ccccc2-n2c(-c3ccccc3)cc(-c3ccc(Br)cc3)c21
InChIInChI=1S/C24H18BrN/c1-16-20-9-5-6-10-22(20)26-23(18-7-3-2-4-8-18)15-21(24(16)26)17-11-13-19(25)14-12-17/h2-16H,1H3
InChIKeyJXWIOUAIWQMAIV-UHFFFAOYSA-N
MW400.32 g/mol
LogP7.04
Rot. Bonds2

About 3-(4-bromophenyl)-4-methyl-1-phenyl-4H-pyrrolo[1,2-a]indole

3-(4-bromophenyl)-4-methyl-1-phenyl-4H-pyrrolo[1,2-a]indole (PubChem CID 139236548) has the molecular formula C24H18BrN and a molecular weight of 400.32 g/mol. Its IUPAC name is 3-(4-bromophenyl)-4-methyl-1-phenyl-4H-pyrrolo[1,2-a]indole.

Molecular Properties

Compound Name3-(4-bromophenyl)-4-methyl-1-phenyl-4H-pyrrolo[1,2-a]indole
PubChem CID139236548
Molecular FormulaC24H18BrN
Molecular Weight400.32 g/mol
Exact Mass399.06
IUPAC Name3-(4-bromophenyl)-4-methyl-1-phenyl-4H-pyrrolo[1,2-a]indole
SMILESCC1c2ccccc2-n2c(-c3ccccc3)cc(-c3ccc(Br)cc3)c21
InChIInChI=1S/C24H18BrN/c1-16-20-9-5-6-10-22(20)26-23(18-7-3-2-4-8-18)15-21(24(16)26)17-11-13-19(25)14-12-17/h2-16H,1H3
InChIKeyJXWIOUAIWQMAIV-UHFFFAOYSA-N
XLogP7.04
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.32
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3-(4-methylphenyl)-1-phenyl-4H-pyrrolo[1,2-a]indole
CID 139236545
(4-ethylphenyl)-(4-methyl-3-phenyl-4H-pyrrolo[1,2-a]indol-1-yl)methanone
CID 132527876
1-(4-bromophenyl)-3-[4-[4-[3-(4-bromophenyl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-(4-phenylphenyl)benzene
CID 102428633
1-[2,3-bis(4-bromophenyl)-5-phenylpyrrol-1-yl]ethanone
CID 102223215
1-bromo-4-phenylbenzene;N-methylmethanamine
CID 66862098
1-(4-bromophenyl)-2-methyl-5-phenylpyrrole-3-carbaldehyde
CID 4772525
3,6-dibromo-9-[2-(2-phenylphenyl)phenyl]carbazole
CID 163652823
3-(4-methylphenyl)-1,2,5-triphenylpyrrole
CID 11851226
2-(4-methylphenyl)-1,3,5-triphenylpyrrole
CID 6710391
5,10-dimethyl-2-phenylphenazine
CID 22055373
3-bromo-9-[3-(2-phenylphenyl)-5-(4-phenylphenyl)phenyl]carbazole
CID 118087762
2,7-dibromo-5,10-bis[2-(3-phenylphenyl)phenyl]indolo[3,2-b]indole
CID 130303982

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-4-methyl-1-phenyl-4H-pyrrolo[1,2-a]indole?
The IUPAC name of 3-(4-bromophenyl)-4-methyl-1-phenyl-4H-pyrrolo[1,2-a]indole (CID 139236548) is 3-(4-bromophenyl)-4-methyl-1-phenyl-4H-pyrrolo[1,2-a]indole.
What is the SMILES notation for 3-(4-bromophenyl)-4-methyl-1-phenyl-4H-pyrrolo[1,2-a]indole?
The canonical SMILES for 3-(4-bromophenyl)-4-methyl-1-phenyl-4H-pyrrolo[1,2-a]indole is CC1c2ccccc2-n2c(-c3ccccc3)cc(-c3ccc(Br)cc3)c21.
What is the InChIKey of 3-(4-bromophenyl)-4-methyl-1-phenyl-4H-pyrrolo[1,2-a]indole?
The InChIKey is JXWIOUAIWQMAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrN/c1-16-20-9-5-6-10-22(20)26-23(18-7-3-2-4-8-18)15-21(24(16)26)17-11-13-19(25)14-12-17/h2-16H,1H3.
What are the key properties of 3-(4-bromophenyl)-4-methyl-1-phenyl-4H-pyrrolo[1,2-a]indole?
3-(4-bromophenyl)-4-methyl-1-phenyl-4H-pyrrolo[1,2-a]indole has a molecular weight of 400.32 g/mol, XLogP of 7.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-4-methyl-1-phenyl-4H-pyrrolo[1,2-a]indole is sourced from PubChem (CID 139236548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).