5-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-ylpyrrole

C27H20ClNOS — CID 2727365

IUPAC5-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-ylpyrrole
SMILESCOc1ccc(-n2c(-c3ccc(Cl)cc3)cc(-c3cccs3)c2-c2ccccc2)cc1
InChIInChI=1S/C27H20ClNOS/c1-30-23-15-13-22(14-16-23)29-25(19-9-11-21(28)12-10-19)18-24(26-8-5-17-31-26)27(29)20-6-3-2-4-7-20/h2-18H,1H3
InChIKeyOZEKLHWWLFOXSB-UHFFFAOYSA-N
MW441.98 g/mol
LogP8.20
Rot. Bonds5

About 5-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-ylpyrrole

5-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-ylpyrrole (PubChem CID 2727365) has the molecular formula C27H20ClNOS and a molecular weight of 441.98 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-ylpyrrole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-ylpyrrole
PubChem CID2727365
Molecular FormulaC27H20ClNOS
Molecular Weight441.98 g/mol
Exact Mass441.10
IUPAC Name5-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-ylpyrrole
SMILESCOc1ccc(-n2c(-c3ccc(Cl)cc3)cc(-c3cccs3)c2-c2ccccc2)cc1
InChIInChI=1S/C27H20ClNOS/c1-30-23-15-13-22(14-16-23)29-25(19-9-11-21(28)12-10-19)18-24(26-8-5-17-31-26)27(29)20-6-3-2-4-7-20/h2-18H,1H3
InChIKeyOZEKLHWWLFOXSB-UHFFFAOYSA-N
XLogP8.20
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.98
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(4-Methoxyphenyl)-5-phenyl-2,3-bis(2-thienyl)pyrrole
CID 395531
2-[5-[5-(4-Fluorophenyl)-1-(4-methoxyphenyl)pyrrol-2-yl]thiophen-2-yl]ethene-1,1,2-tricarbonitrile
CID 102462535
1-[(4-Chlorophenyl)methyl]-2-methyl-3-thiophen-2-yl-5-(trifluoromethoxy)indole
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2-Phenyl-1-(4-methoxyphenyl)-5-(5-(tricyanoethenyl)-2-thienyl)pyrrole
CID 102462534
1-[2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-[4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]methanimine
CID 139219777
4-Methyl-6-phenyl-5-(4-phenylmethoxyphenyl)thieno[2,3-c]pyrrole
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CID 71696993
2-(4-Fluorophenyl)-1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrole
CID 86236073
4-(4-Chlorophenyl)-2-[(3-methoxyphenyl)methylsulfanyl]-6-thiophen-2-ylpyridine-3-carbonitrile
CID 1830714
4-Chloro-6-methoxy-2-(2-thiophen-3-ylethenyl)quinoline
CID 5059134
4-chloro-6-methoxy-2-[(E)-2-thiophen-3-ylethenyl]quinoline
CID 6260245

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-ylpyrrole?
The IUPAC name of 5-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-ylpyrrole (CID 2727365) is 5-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-ylpyrrole.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-ylpyrrole?
The canonical SMILES for 5-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-ylpyrrole is COc1ccc(-n2c(-c3ccc(Cl)cc3)cc(-c3cccs3)c2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-ylpyrrole?
The InChIKey is OZEKLHWWLFOXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClNOS/c1-30-23-15-13-22(14-16-23)29-25(19-9-11-21(28)12-10-19)18-24(26-8-5-17-31-26)27(29)20-6-3-2-4-7-20/h2-18H,1H3.
What are the key properties of 5-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-ylpyrrole?
5-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-ylpyrrole has a molecular weight of 441.98 g/mol, XLogP of 8.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-ylpyrrole is sourced from PubChem (CID 2727365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).