2-(4-cyclohexylphenyl)-1-(4-fluorophenyl)-5-methylpyrrole

C23H24FN — CID 3021782

IUPAC2-(4-cyclohexylphenyl)-1-(4-fluorophenyl)-5-methylpyrrole
SMILESCc1ccc(-c2ccc(C3CCCCC3)cc2)n1-c1ccc(F)cc1
InChIInChI=1S/C23H24FN/c1-17-7-16-23(25(17)22-14-12-21(24)13-15-22)20-10-8-19(9-11-20)18-5-3-2-4-6-18/h7-16,18H,2-6H2,1H3
InChIKeyCFNSAYPQYFGUGK-UHFFFAOYSA-N
MW333.45 g/mol
LogP6.64
Rot. Bonds3

About 2-(4-cyclohexylphenyl)-1-(4-fluorophenyl)-5-methylpyrrole

2-(4-cyclohexylphenyl)-1-(4-fluorophenyl)-5-methylpyrrole (PubChem CID 3021782) has the molecular formula C23H24FN and a molecular weight of 333.45 g/mol. Its IUPAC name is 2-(4-cyclohexylphenyl)-1-(4-fluorophenyl)-5-methylpyrrole.

Molecular Properties

Compound Name2-(4-cyclohexylphenyl)-1-(4-fluorophenyl)-5-methylpyrrole
PubChem CID3021782
Molecular FormulaC23H24FN
Molecular Weight333.45 g/mol
Exact Mass333.19
IUPAC Name2-(4-cyclohexylphenyl)-1-(4-fluorophenyl)-5-methylpyrrole
SMILESCc1ccc(-c2ccc(C3CCCCC3)cc2)n1-c1ccc(F)cc1
InChIInChI=1S/C23H24FN/c1-17-7-16-23(25(17)22-14-12-21(24)13-15-22)20-10-8-19(9-11-20)18-5-3-2-4-6-18/h7-16,18H,2-6H2,1H3
InChIKeyCFNSAYPQYFGUGK-UHFFFAOYSA-N
XLogP6.64
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.45
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenyl)-1-(4-fluorophenyl)-5-methylpyrrole?
The IUPAC name of 2-(4-cyclohexylphenyl)-1-(4-fluorophenyl)-5-methylpyrrole (CID 3021782) is 2-(4-cyclohexylphenyl)-1-(4-fluorophenyl)-5-methylpyrrole.
What is the SMILES notation for 2-(4-cyclohexylphenyl)-1-(4-fluorophenyl)-5-methylpyrrole?
The canonical SMILES for 2-(4-cyclohexylphenyl)-1-(4-fluorophenyl)-5-methylpyrrole is Cc1ccc(-c2ccc(C3CCCCC3)cc2)n1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-cyclohexylphenyl)-1-(4-fluorophenyl)-5-methylpyrrole?
The InChIKey is CFNSAYPQYFGUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN/c1-17-7-16-23(25(17)22-14-12-21(24)13-15-22)20-10-8-19(9-11-20)18-5-3-2-4-6-18/h7-16,18H,2-6H2,1H3.
What are the key properties of 2-(4-cyclohexylphenyl)-1-(4-fluorophenyl)-5-methylpyrrole?
2-(4-cyclohexylphenyl)-1-(4-fluorophenyl)-5-methylpyrrole has a molecular weight of 333.45 g/mol, XLogP of 6.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenyl)-1-(4-fluorophenyl)-5-methylpyrrole is sourced from PubChem (CID 3021782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).