1-(4-bromophenyl)-5-methyl-3-phenyl-2-phenylsulfanylpyrrole

C23H18BrNS — CID 102075555

IUPAC1-(4-bromophenyl)-5-methyl-3-phenyl-2-phenylsulfanylpyrrole
SMILESCc1cc(-c2ccccc2)c(Sc2ccccc2)n1-c1ccc(Br)cc1
InChIInChI=1S/C23H18BrNS/c1-17-16-22(18-8-4-2-5-9-18)23(26-21-10-6-3-7-11-21)25(17)20-14-12-19(24)13-15-20/h2-16H,1H3
InChIKeyIOEORAQMRCZPHZ-UHFFFAOYSA-N
MW420.38 g/mol
LogP7.37
Rot. Bonds4

About 1-(4-bromophenyl)-5-methyl-3-phenyl-2-phenylsulfanylpyrrole

1-(4-bromophenyl)-5-methyl-3-phenyl-2-phenylsulfanylpyrrole (PubChem CID 102075555) has the molecular formula C23H18BrNS and a molecular weight of 420.38 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-methyl-3-phenyl-2-phenylsulfanylpyrrole.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-methyl-3-phenyl-2-phenylsulfanylpyrrole
PubChem CID102075555
Molecular FormulaC23H18BrNS
Molecular Weight420.38 g/mol
Exact Mass419.03
IUPAC Name1-(4-bromophenyl)-5-methyl-3-phenyl-2-phenylsulfanylpyrrole
SMILESCc1cc(-c2ccccc2)c(Sc2ccccc2)n1-c1ccc(Br)cc1
InChIInChI=1S/C23H18BrNS/c1-17-16-22(18-8-4-2-5-9-18)23(26-21-10-6-3-7-11-21)25(17)20-14-12-19(24)13-15-20/h2-16H,1H3
InChIKeyIOEORAQMRCZPHZ-UHFFFAOYSA-N
XLogP7.37
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.38
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrrole, 1-(p-bromophenyl)-2-methyl-5-phenyl-
CID 122758
1H-Pyrrole, 1-(4-bromophenyl)-2-(4-cyclohexylphenyl)-5-methyl-
CID 3021784
3-Bromo-2-methylsulfanyl-4-phenylquinoline
CID 139041830
1-(4-Bromophenyl)-2-(3-fluoro-4-(methylsulfonyl)phenyl]-5-methyl-1H-pyrrole
CID 22316802
3,6-Dibromo-9-(2-fluoro-3-phenylsulfanylpropyl)carbazole
CID 58065874
[4-[2,5-Bis(4-bromophenyl)pyrrol-1-yl]phenyl]-pentafluoro-lambda6-sulfane
CID 90861020
1-(4-Bromophenyl)-2,3,5-triphenylpyrrole
CID 11851227
4-(4-Bromophenyl)-2,3-diphenyl-1,3-thiazol-3-ium
CID 12291386
1-(2-Bromophenyl)-5-methyl-2-pentyl-3-phenylpyrrole
CID 46845542
3-(4-Bromophenyl)-2-pentyl-1,5-diphenylpyrrole
CID 46845679
3,4-Dimethyl-6-phenyl-2-phenylsulfanylpyridine
CID 56839629
2-Methyl-5-(2-methylsulfanylphenyl)-1,3-diphenylpyrrole
CID 138978110

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-methyl-3-phenyl-2-phenylsulfanylpyrrole?
The IUPAC name of 1-(4-bromophenyl)-5-methyl-3-phenyl-2-phenylsulfanylpyrrole (CID 102075555) is 1-(4-bromophenyl)-5-methyl-3-phenyl-2-phenylsulfanylpyrrole.
What is the SMILES notation for 1-(4-bromophenyl)-5-methyl-3-phenyl-2-phenylsulfanylpyrrole?
The canonical SMILES for 1-(4-bromophenyl)-5-methyl-3-phenyl-2-phenylsulfanylpyrrole is Cc1cc(-c2ccccc2)c(Sc2ccccc2)n1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-5-methyl-3-phenyl-2-phenylsulfanylpyrrole?
The InChIKey is IOEORAQMRCZPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrNS/c1-17-16-22(18-8-4-2-5-9-18)23(26-21-10-6-3-7-11-21)25(17)20-14-12-19(24)13-15-20/h2-16H,1H3.
What are the key properties of 1-(4-bromophenyl)-5-methyl-3-phenyl-2-phenylsulfanylpyrrole?
1-(4-bromophenyl)-5-methyl-3-phenyl-2-phenylsulfanylpyrrole has a molecular weight of 420.38 g/mol, XLogP of 7.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-methyl-3-phenyl-2-phenylsulfanylpyrrole is sourced from PubChem (CID 102075555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).