1-(4-bromophenyl)-2-[4-(4-methoxyphenyl)phenyl]-5-methylpyrrole

C24H20BrNO — CID 22387522

IUPAC1-(4-bromophenyl)-2-[4-(4-methoxyphenyl)phenyl]-5-methylpyrrole
SMILESCOc1ccc(-c2ccc(-c3ccc(C)n3-c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C24H20BrNO/c1-17-3-16-24(26(17)22-12-10-21(25)11-13-22)20-6-4-18(5-7-20)19-8-14-23(27-2)15-9-19/h3-16H,1-2H3
InChIKeyBFIIXJILQLMAPX-UHFFFAOYSA-N
MW418.33 g/mol
LogP6.89
Rot. Bonds4

About 1-(4-bromophenyl)-2-[4-(4-methoxyphenyl)phenyl]-5-methylpyrrole

1-(4-bromophenyl)-2-[4-(4-methoxyphenyl)phenyl]-5-methylpyrrole (PubChem CID 22387522) has the molecular formula C24H20BrNO and a molecular weight of 418.33 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-[4-(4-methoxyphenyl)phenyl]-5-methylpyrrole.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-[4-(4-methoxyphenyl)phenyl]-5-methylpyrrole
PubChem CID22387522
Molecular FormulaC24H20BrNO
Molecular Weight418.33 g/mol
Exact Mass417.07
IUPAC Name1-(4-bromophenyl)-2-[4-(4-methoxyphenyl)phenyl]-5-methylpyrrole
SMILESCOc1ccc(-c2ccc(-c3ccc(C)n3-c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C24H20BrNO/c1-17-3-16-24(26(17)22-12-10-21(25)11-13-22)20-6-4-18(5-7-20)19-8-14-23(27-2)15-9-19/h3-16H,1-2H3
InChIKeyBFIIXJILQLMAPX-UHFFFAOYSA-N
XLogP6.89
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.33
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)-5-[5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrrol-2-yl]-1-(4-methoxyphenyl)pyrrole
CID 86230996
1-(4-bromophenyl)-2-(3,5-dibromo-4-methoxyphenyl)-5-methylpyrrole
CID 22387663
1-(4-bromophenyl)-2-(4-methoxyphenyl)-5-propylpyrrole
CID 22387550
2-(4-bromophenyl)-5-[4-(4-bromophenyl)buta-1,3-diynyl]-1-(4-methoxyphenyl)pyrrole
CID 101384824
3-(4-bromophenyl)-4-(4-methoxyphenyl)-5-methyl-1,2,4-triazole
CID 58997471
1-(4-bromophenyl)-2,5-dimethylpyrrole
CID 2739609
1-(4-bromophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 134817006
N-[5-(4-bromophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]-4,6-dimethylpyrimidin-2-amine
CID 17121989
anisole;1-bromo-4-(4-bromophenyl)benzene
CID 159969810
2,5-bis(4-bromophenyl)-1-(4-hexoxyphenyl)pyrrole
CID 23497956
9-[4-(4-methoxyphenyl)phenyl]carbazole
CID 58905910
1,2-bis(3-methoxyphenyl)-5-methylpyrrole
CID 91755634

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-[4-(4-methoxyphenyl)phenyl]-5-methylpyrrole?
The IUPAC name of 1-(4-bromophenyl)-2-[4-(4-methoxyphenyl)phenyl]-5-methylpyrrole (CID 22387522) is 1-(4-bromophenyl)-2-[4-(4-methoxyphenyl)phenyl]-5-methylpyrrole.
What is the SMILES notation for 1-(4-bromophenyl)-2-[4-(4-methoxyphenyl)phenyl]-5-methylpyrrole?
The canonical SMILES for 1-(4-bromophenyl)-2-[4-(4-methoxyphenyl)phenyl]-5-methylpyrrole is COc1ccc(-c2ccc(-c3ccc(C)n3-c3ccc(Br)cc3)cc2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-[4-(4-methoxyphenyl)phenyl]-5-methylpyrrole?
The InChIKey is BFIIXJILQLMAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrNO/c1-17-3-16-24(26(17)22-12-10-21(25)11-13-22)20-6-4-18(5-7-20)19-8-14-23(27-2)15-9-19/h3-16H,1-2H3.
What are the key properties of 1-(4-bromophenyl)-2-[4-(4-methoxyphenyl)phenyl]-5-methylpyrrole?
1-(4-bromophenyl)-2-[4-(4-methoxyphenyl)phenyl]-5-methylpyrrole has a molecular weight of 418.33 g/mol, XLogP of 6.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-[4-(4-methoxyphenyl)phenyl]-5-methylpyrrole is sourced from PubChem (CID 22387522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).