phenyl-(5-phenyl-1H-pyrrol-2-yl)methanone

C17H13NO — CID 13413078

IUPACphenyl-(5-phenyl-1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccccc1)c1ccc(-c2ccccc2)[nH]1
InChIInChI=1S/C17H13NO/c19-17(14-9-5-2-6-10-14)16-12-11-15(18-16)13-7-3-1-4-8-13/h1-12,18H
InChIKeyDJBSRTJRHSNDFR-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.91
Rot. Bonds3

About phenyl-(5-phenyl-1H-pyrrol-2-yl)methanone

phenyl-(5-phenyl-1H-pyrrol-2-yl)methanone (PubChem CID 13413078) has the molecular formula C17H13NO and a molecular weight of 247.30 g/mol. Its IUPAC name is phenyl-(5-phenyl-1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Namephenyl-(5-phenyl-1H-pyrrol-2-yl)methanone
PubChem CID13413078
Molecular FormulaC17H13NO
Molecular Weight247.30 g/mol
Exact Mass247.10
IUPAC Namephenyl-(5-phenyl-1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccccc1)c1ccc(-c2ccccc2)[nH]1
InChIInChI=1S/C17H13NO/c19-17(14-9-5-2-6-10-14)16-12-11-15(18-16)13-7-3-1-4-8-13/h1-12,18H
InChIKeyDJBSRTJRHSNDFR-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Phenyl(1H-pyrrol-2-YL)methanone
CID 24370
Indole-2-carboxaldehyde
CID 96389
2,3,4,9-tetrahydro-1H-carbazol-1-one
CID 285865
6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one
CID 607984
N-Phenyl-1H-indole-2-carboxamide
CID 589138
1-(2-Phenyl-1H-indol-3-yl)ethanone
CID 613364
Murrayaquinone A
CID 127481
Di(1H-indol-2-yl)methanone
CID 10220822
(5-fluoro-1H-indol-2-yl)-(1H-indol-2-yl)methanone
CID 11500099
(4-aminophenyl)-(3H-benzo[e]indol-2-yl)methanone
CID 53348204
2,5-Diphenyl-1H-pyrrole-3-carbaldehyde
CID 619021
(2E)-1-phenyl-3-(1H-pyrrol-2-yl)prop-2-en-1-one
CID 5929854

Frequently Asked Questions

What is the IUPAC name of phenyl-(5-phenyl-1H-pyrrol-2-yl)methanone?
The IUPAC name of phenyl-(5-phenyl-1H-pyrrol-2-yl)methanone (CID 13413078) is phenyl-(5-phenyl-1H-pyrrol-2-yl)methanone.
What is the SMILES notation for phenyl-(5-phenyl-1H-pyrrol-2-yl)methanone?
The canonical SMILES for phenyl-(5-phenyl-1H-pyrrol-2-yl)methanone is O=C(c1ccccc1)c1ccc(-c2ccccc2)[nH]1.
What is the InChIKey of phenyl-(5-phenyl-1H-pyrrol-2-yl)methanone?
The InChIKey is DJBSRTJRHSNDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO/c19-17(14-9-5-2-6-10-14)16-12-11-15(18-16)13-7-3-1-4-8-13/h1-12,18H.
What are the key properties of phenyl-(5-phenyl-1H-pyrrol-2-yl)methanone?
phenyl-(5-phenyl-1H-pyrrol-2-yl)methanone has a molecular weight of 247.30 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(5-phenyl-1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 13413078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).