1-(4-bromophenyl)-2,3,5-triphenylpyrrole

C28H20BrN — CID 11851227

IUPAC1-(4-bromophenyl)-2,3,5-triphenylpyrrole
SMILESBrc1ccc(-n2c(-c3ccccc3)cc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C28H20BrN/c29-24-16-18-25(19-17-24)30-27(22-12-6-2-7-13-22)20-26(21-10-4-1-5-11-21)28(30)23-14-8-3-9-15-23/h1-20H
InChIKeyAINUKBHUWBKRIN-UHFFFAOYSA-N
MW450.38 g/mol
LogP8.24
Rot. Bonds4

About 1-(4-bromophenyl)-2,3,5-triphenylpyrrole

1-(4-bromophenyl)-2,3,5-triphenylpyrrole (PubChem CID 11851227) has the molecular formula C28H20BrN and a molecular weight of 450.38 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2,3,5-triphenylpyrrole.

Molecular Properties

Compound Name1-(4-bromophenyl)-2,3,5-triphenylpyrrole
PubChem CID11851227
Molecular FormulaC28H20BrN
Molecular Weight450.38 g/mol
Exact Mass449.08
IUPAC Name1-(4-bromophenyl)-2,3,5-triphenylpyrrole
SMILESBrc1ccc(-n2c(-c3ccccc3)cc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C28H20BrN/c29-24-16-18-25(19-17-24)30-27(22-12-6-2-7-13-22)20-26(21-10-4-1-5-11-21)28(30)23-14-8-3-9-15-23/h1-20H
InChIKeyAINUKBHUWBKRIN-UHFFFAOYSA-N
XLogP8.24
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.38
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Pyrrole, 1-(p-bromophenyl)-2-methyl-5-phenyl-
CID 122758
9-(4-Bromophenyl)carbazole
CID 22361390
9-Benzyl-3-bromo-9H-carbazole
CID 4379666
3,6-Dibromo-9-(4-bromophenyl)carbazole
CID 11059889
3-Bromo-9-phenylcarbazole
CID 18942624
9-(3-Bromophenyl)carbazole
CID 58690888
9-(2-Bromophenyl)-9H-carbazole
CID 59465012
3-Bromo-9-hexyl-9H-carbazole
CID 71354044
2,7-Dibromo-9-(4-bromophenyl)-9H-carbazole
CID 129317820
1-(4-Bromophenyl)-2,4,6-triphenylpyridin-1-ium perchlorate
CID 12434472
6-Bromo-2,4-diphenylquinoline
CID 632251
2-(4-Bromophenyl)-4,6-diphenylpyridine
CID 2801866

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2,3,5-triphenylpyrrole?
The IUPAC name of 1-(4-bromophenyl)-2,3,5-triphenylpyrrole (CID 11851227) is 1-(4-bromophenyl)-2,3,5-triphenylpyrrole.
What is the SMILES notation for 1-(4-bromophenyl)-2,3,5-triphenylpyrrole?
The canonical SMILES for 1-(4-bromophenyl)-2,3,5-triphenylpyrrole is Brc1ccc(-n2c(-c3ccccc3)cc(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2,3,5-triphenylpyrrole?
The InChIKey is AINUKBHUWBKRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20BrN/c29-24-16-18-25(19-17-24)30-27(22-12-6-2-7-13-22)20-26(21-10-4-1-5-11-21)28(30)23-14-8-3-9-15-23/h1-20H.
What are the key properties of 1-(4-bromophenyl)-2,3,5-triphenylpyrrole?
1-(4-bromophenyl)-2,3,5-triphenylpyrrole has a molecular weight of 450.38 g/mol, XLogP of 8.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2,3,5-triphenylpyrrole is sourced from PubChem (CID 11851227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).