2,5-diphenyl-1H-pyrrole-3-carbaldehyde

C17H13NO — CID 619021

IUPAC2,5-diphenyl-1H-pyrrole-3-carbaldehyde
SMILESO=Cc1cc(-c2ccccc2)[nH]c1-c1ccccc1
InChIInChI=1S/C17H13NO/c19-12-15-11-16(13-7-3-1-4-8-13)18-17(15)14-9-5-2-6-10-14/h1-12,18H
InChIKeyIWYHVTRFSJPFOF-UHFFFAOYSA-N
MW247.30 g/mol
LogP4.16
Rot. Bonds3

About 2,5-diphenyl-1H-pyrrole-3-carbaldehyde

2,5-diphenyl-1H-pyrrole-3-carbaldehyde (PubChem CID 619021) has the molecular formula C17H13NO and a molecular weight of 247.30 g/mol. Its IUPAC name is 2,5-diphenyl-1H-pyrrole-3-carbaldehyde.

Molecular Properties

Compound Name2,5-diphenyl-1H-pyrrole-3-carbaldehyde
PubChem CID619021
Molecular FormulaC17H13NO
Molecular Weight247.30 g/mol
Exact Mass247.10
IUPAC Name2,5-diphenyl-1H-pyrrole-3-carbaldehyde
SMILESO=Cc1cc(-c2ccccc2)[nH]c1-c1ccccc1
InChIInChI=1S/C17H13NO/c19-12-15-11-16(13-7-3-1-4-8-13)18-17(15)14-9-5-2-6-10-14/h1-12,18H
InChIKeyIWYHVTRFSJPFOF-UHFFFAOYSA-N
XLogP4.16
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-1H-pyrrole-3-carbaldehyde?
The IUPAC name of 2,5-diphenyl-1H-pyrrole-3-carbaldehyde (CID 619021) is 2,5-diphenyl-1H-pyrrole-3-carbaldehyde.
What is the SMILES notation for 2,5-diphenyl-1H-pyrrole-3-carbaldehyde?
The canonical SMILES for 2,5-diphenyl-1H-pyrrole-3-carbaldehyde is O=Cc1cc(-c2ccccc2)[nH]c1-c1ccccc1.
What is the InChIKey of 2,5-diphenyl-1H-pyrrole-3-carbaldehyde?
The InChIKey is IWYHVTRFSJPFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO/c19-12-15-11-16(13-7-3-1-4-8-13)18-17(15)14-9-5-2-6-10-14/h1-12,18H.
What are the key properties of 2,5-diphenyl-1H-pyrrole-3-carbaldehyde?
2,5-diphenyl-1H-pyrrole-3-carbaldehyde has a molecular weight of 247.30 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-1H-pyrrole-3-carbaldehyde is sourced from PubChem (CID 619021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).