1-(4-fluorophenyl)-5-[2-(4-methylphenyl)phenyl]pyrrole-2-carbaldehyde

C24H18FNO — CID 87816624

IUPAC1-(4-fluorophenyl)-5-[2-(4-methylphenyl)phenyl]pyrrole-2-carbaldehyde
SMILESCc1ccc(-c2ccccc2-c2ccc(C=O)n2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H18FNO/c1-17-6-8-18(9-7-17)22-4-2-3-5-23(22)24-15-14-21(16-27)26(24)20-12-10-19(25)11-13-20/h2-16H,1H3
InChIKeyAAWNVKUQKFVKNS-UHFFFAOYSA-N
MW355.41 g/mol
LogP6.07
Rot. Bonds4

About 1-(4-fluorophenyl)-5-[2-(4-methylphenyl)phenyl]pyrrole-2-carbaldehyde

1-(4-fluorophenyl)-5-[2-(4-methylphenyl)phenyl]pyrrole-2-carbaldehyde (PubChem CID 87816624) has the molecular formula C24H18FNO and a molecular weight of 355.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[2-(4-methylphenyl)phenyl]pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[2-(4-methylphenyl)phenyl]pyrrole-2-carbaldehyde
PubChem CID87816624
Molecular FormulaC24H18FNO
Molecular Weight355.41 g/mol
Exact Mass355.14
IUPAC Name1-(4-fluorophenyl)-5-[2-(4-methylphenyl)phenyl]pyrrole-2-carbaldehyde
SMILESCc1ccc(-c2ccccc2-c2ccc(C=O)n2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H18FNO/c1-17-6-8-18(9-7-17)22-4-2-3-5-23(22)24-15-14-21(16-27)26(24)20-12-10-19(25)11-13-20/h2-16H,1H3
InChIKeyAAWNVKUQKFVKNS-UHFFFAOYSA-N
XLogP6.07
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.41
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-[2-(4-methylphenyl)phenyl]pyrrole-2-carbaldehyde?
The IUPAC name of 1-(4-fluorophenyl)-5-[2-(4-methylphenyl)phenyl]pyrrole-2-carbaldehyde (CID 87816624) is 1-(4-fluorophenyl)-5-[2-(4-methylphenyl)phenyl]pyrrole-2-carbaldehyde.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[2-(4-methylphenyl)phenyl]pyrrole-2-carbaldehyde?
The canonical SMILES for 1-(4-fluorophenyl)-5-[2-(4-methylphenyl)phenyl]pyrrole-2-carbaldehyde is Cc1ccc(-c2ccccc2-c2ccc(C=O)n2-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-[2-(4-methylphenyl)phenyl]pyrrole-2-carbaldehyde?
The InChIKey is AAWNVKUQKFVKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNO/c1-17-6-8-18(9-7-17)22-4-2-3-5-23(22)24-15-14-21(16-27)26(24)20-12-10-19(25)11-13-20/h2-16H,1H3.
What are the key properties of 1-(4-fluorophenyl)-5-[2-(4-methylphenyl)phenyl]pyrrole-2-carbaldehyde?
1-(4-fluorophenyl)-5-[2-(4-methylphenyl)phenyl]pyrrole-2-carbaldehyde has a molecular weight of 355.41 g/mol, XLogP of 6.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-[2-(4-methylphenyl)phenyl]pyrrole-2-carbaldehyde is sourced from PubChem (CID 87816624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).