1-[4-[[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]phenyl]ethanone

C31H23ClN2O — CID 94845697

IUPAC1-[4-[[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]phenyl]ethanone
SMILESCC(=O)c1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C31H23ClN2O/c1-22(35)23-12-16-28(17-13-23)33-21-26-20-30(24-8-4-2-5-9-24)34(29-18-14-27(32)15-19-29)31(26)25-10-6-3-7-11-25/h2-21H,1H3/b33-21+
InChIKeyUGNIEEOMNLYNPL-QNKGDIEWSA-N
MW474.99 g/mol
LogP8.42
Rot. Bonds6

About 1-[4-[[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]phenyl]ethanone

1-[4-[[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]phenyl]ethanone (PubChem CID 94845697) has the molecular formula C31H23ClN2O and a molecular weight of 474.99 g/mol. Its IUPAC name is 1-[4-[[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]phenyl]ethanone
PubChem CID94845697
Molecular FormulaC31H23ClN2O
Molecular Weight474.99 g/mol
Exact Mass474.15
IUPAC Name1-[4-[[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]phenyl]ethanone
SMILESCC(=O)c1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C31H23ClN2O/c1-22(35)23-12-16-28(17-13-23)33-21-26-20-30(24-8-4-2-5-9-24)34(29-18-14-27(32)15-19-29)31(26)25-10-6-3-7-11-25/h2-21H,1H3/b33-21+
InChIKeyUGNIEEOMNLYNPL-QNKGDIEWSA-N
XLogP8.42
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.99
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-[[1-(4-nitrophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]phenyl]ethanone
CID 94845758
N-[(E)-[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]acetamide
CID 96843404
N-(4-nitrophenyl)-1-[1-(4-nitrophenyl)-2,5-diphenylpyrrol-3-yl]methanimine
CID 94845742
N-[(Z)-[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-4-(2-methyl-5-phenylpyrrol-1-yl)benzamide
CID 124534113
N-[(E)-[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]aniline
CID 96877901
1-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]-N-(4-nitrophenyl)methanimine
CID 124543894
N-[(Z)-[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]pyridine-2-carboxamide
CID 94845723
1-[4-[3-benzoyl-2-(4-chlorophenyl)-4,5-dihydroxypyrrol-1-yl]phenyl]ethanone
CID 90983981
ethyl 4-[2,5-diphenyl-3-(pyridin-2-yliminomethyl)pyrrol-1-yl]benzoate
CID 39373772
(5E)-5-[[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
CID 96882231
1-[4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenyl]ethanone
CID 780818
(6S)-6-tert-butyl-N-(4-chlorophenyl)-2-[(1,2,5-triphenylpyrrol-3-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 126084149

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]phenyl]ethanone?
The IUPAC name of 1-[4-[[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]phenyl]ethanone (CID 94845697) is 1-[4-[[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]phenyl]ethanone?
The canonical SMILES for 1-[4-[[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]phenyl]ethanone is CC(=O)c1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1.
What is the InChIKey of 1-[4-[[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]phenyl]ethanone?
The InChIKey is UGNIEEOMNLYNPL-QNKGDIEWSA-N. The full InChI is InChI=1S/C31H23ClN2O/c1-22(35)23-12-16-28(17-13-23)33-21-26-20-30(24-8-4-2-5-9-24)34(29-18-14-27(32)15-19-29)31(26)25-10-6-3-7-11-25/h2-21H,1H3/b33-21+.
What are the key properties of 1-[4-[[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]phenyl]ethanone?
1-[4-[[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]phenyl]ethanone has a molecular weight of 474.99 g/mol, XLogP of 8.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]phenyl]ethanone is sourced from PubChem (CID 94845697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).