1-(4-chlorophenyl)-2-(4-methylthiophen-2-yl)-5-phenylpyrrole

C21H16ClNS — CID 3021805

IUPAC1-(4-chlorophenyl)-2-(4-methylthiophen-2-yl)-5-phenylpyrrole
SMILESCc1csc(-c2ccc(-c3ccccc3)n2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C21H16ClNS/c1-15-13-21(24-14-15)20-12-11-19(16-5-3-2-4-6-16)23(20)18-9-7-17(22)8-10-18/h2-14H,1H3
InChIKeyRSAYIBVAIYVZIX-UHFFFAOYSA-N
MW349.89 g/mol
LogP6.83
Rot. Bonds3

About 1-(4-chlorophenyl)-2-(4-methylthiophen-2-yl)-5-phenylpyrrole

1-(4-chlorophenyl)-2-(4-methylthiophen-2-yl)-5-phenylpyrrole (PubChem CID 3021805) has the molecular formula C21H16ClNS and a molecular weight of 349.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(4-methylthiophen-2-yl)-5-phenylpyrrole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(4-methylthiophen-2-yl)-5-phenylpyrrole
PubChem CID3021805
Molecular FormulaC21H16ClNS
Molecular Weight349.89 g/mol
Exact Mass349.07
IUPAC Name1-(4-chlorophenyl)-2-(4-methylthiophen-2-yl)-5-phenylpyrrole
SMILESCc1csc(-c2ccc(-c3ccccc3)n2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C21H16ClNS/c1-15-13-21(24-14-15)20-12-11-19(16-5-3-2-4-6-16)23(20)18-9-7-17(22)8-10-18/h2-14H,1H3
InChIKeyRSAYIBVAIYVZIX-UHFFFAOYSA-N
XLogP6.83
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.89
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(4-methylthiophen-2-yl)-5-phenylpyrrole?
The IUPAC name of 1-(4-chlorophenyl)-2-(4-methylthiophen-2-yl)-5-phenylpyrrole (CID 3021805) is 1-(4-chlorophenyl)-2-(4-methylthiophen-2-yl)-5-phenylpyrrole.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(4-methylthiophen-2-yl)-5-phenylpyrrole?
The canonical SMILES for 1-(4-chlorophenyl)-2-(4-methylthiophen-2-yl)-5-phenylpyrrole is Cc1csc(-c2ccc(-c3ccccc3)n2-c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(4-methylthiophen-2-yl)-5-phenylpyrrole?
The InChIKey is RSAYIBVAIYVZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNS/c1-15-13-21(24-14-15)20-12-11-19(16-5-3-2-4-6-16)23(20)18-9-7-17(22)8-10-18/h2-14H,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(4-methylthiophen-2-yl)-5-phenylpyrrole?
1-(4-chlorophenyl)-2-(4-methylthiophen-2-yl)-5-phenylpyrrole has a molecular weight of 349.89 g/mol, XLogP of 6.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(4-methylthiophen-2-yl)-5-phenylpyrrole is sourced from PubChem (CID 3021805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).