2-(4-bromophenyl)-1-(4-ethoxyphenyl)-6-phenyl-6,7-dihydro-5H-indol-4-one

C28H24BrNO2 — CID 4073969

IUPAC2-(4-bromophenyl)-1-(4-ethoxyphenyl)-6-phenyl-6,7-dihydro-5H-indol-4-one
SMILESCCOc1ccc(-n2c(-c3ccc(Br)cc3)cc3c2CC(c2ccccc2)CC3=O)cc1
InChIInChI=1S/C28H24BrNO2/c1-2-32-24-14-12-23(13-15-24)30-26(20-8-10-22(29)11-9-20)18-25-27(30)16-21(17-28(25)31)19-6-4-3-5-7-19/h3-15,18,21H,2,16-17H2,1H3
InChIKeyGANHNGTUQSAUAP-UHFFFAOYSA-N
MW486.41 g/mol
LogP7.22
Rot. Bonds5

About 2-(4-bromophenyl)-1-(4-ethoxyphenyl)-6-phenyl-6,7-dihydro-5H-indol-4-one

2-(4-bromophenyl)-1-(4-ethoxyphenyl)-6-phenyl-6,7-dihydro-5H-indol-4-one (PubChem CID 4073969) has the molecular formula C28H24BrNO2 and a molecular weight of 486.41 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(4-ethoxyphenyl)-6-phenyl-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(4-ethoxyphenyl)-6-phenyl-6,7-dihydro-5H-indol-4-one
PubChem CID4073969
Molecular FormulaC28H24BrNO2
Molecular Weight486.41 g/mol
Exact Mass485.10
IUPAC Name2-(4-bromophenyl)-1-(4-ethoxyphenyl)-6-phenyl-6,7-dihydro-5H-indol-4-one
SMILESCCOc1ccc(-n2c(-c3ccc(Br)cc3)cc3c2CC(c2ccccc2)CC3=O)cc1
InChIInChI=1S/C28H24BrNO2/c1-2-32-24-14-12-23(13-15-24)30-26(20-8-10-22(29)11-9-20)18-25-27(30)16-21(17-28(25)31)19-6-4-3-5-7-19/h3-15,18,21H,2,16-17H2,1H3
InChIKeyGANHNGTUQSAUAP-UHFFFAOYSA-N
XLogP7.22
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.41
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-bromophenyl)-1-(4-ethoxyphenyl)-6-phenyl-6,7-dihydro-5H-indol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S)-2-(4-bromophenyl)-1-(4-methoxyphenyl)-6-phenyl-6,7-dihydro-5H-indol-4-one
CID 51664969
(3Z)-3-[[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylidene]-5-(4-ethoxyphenyl)furan-2-one
CID 98082254
1-benzyl-3-(4-bromophenyl)-2-methyl-6-phenyl-6,7-dihydro-5H-indol-4-one
CID 135012644
5-(4-bromophenyl)-3-(4-ethoxyphenyl)-4-phenyl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one
CID 73217484
(7R)-1-(4-chlorophenyl)-2,5-dioxo-7-phenyl-7,8-dihydro-6H-quinoline-3-carbonitrile
CID 92867606
(4S)-4-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 41455272
ethyl 5-(4-bromophenyl)-2-methyl-1-phenylpyrrole-3-carboxylate
CID 14339198
7-bromo-2-(4-ethoxyphenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854307
(4Z)-1-(4-bromophenyl)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(3-hydroxyphenyl)pyrrolidine-2,3-dione
CID 44825114
1-(4-ethoxyphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 5267575
[1,2-bis(4-bromophenyl)-6,6-dimethyl-4-oxo-5,7-dihydroindol-7-yl] acetate
CID 139225646
ethyl 3-[4-(2-methyl-3,5-diphenylpyrrol-1-yl)phenoxy]propanoate
CID 66685938

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(4-ethoxyphenyl)-6-phenyl-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 2-(4-bromophenyl)-1-(4-ethoxyphenyl)-6-phenyl-6,7-dihydro-5H-indol-4-one (CID 4073969) is 2-(4-bromophenyl)-1-(4-ethoxyphenyl)-6-phenyl-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 2-(4-bromophenyl)-1-(4-ethoxyphenyl)-6-phenyl-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 2-(4-bromophenyl)-1-(4-ethoxyphenyl)-6-phenyl-6,7-dihydro-5H-indol-4-one is CCOc1ccc(-n2c(-c3ccc(Br)cc3)cc3c2CC(c2ccccc2)CC3=O)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-(4-ethoxyphenyl)-6-phenyl-6,7-dihydro-5H-indol-4-one?
The InChIKey is GANHNGTUQSAUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24BrNO2/c1-2-32-24-14-12-23(13-15-24)30-26(20-8-10-22(29)11-9-20)18-25-27(30)16-21(17-28(25)31)19-6-4-3-5-7-19/h3-15,18,21H,2,16-17H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-(4-ethoxyphenyl)-6-phenyl-6,7-dihydro-5H-indol-4-one?
2-(4-bromophenyl)-1-(4-ethoxyphenyl)-6-phenyl-6,7-dihydro-5H-indol-4-one has a molecular weight of 486.41 g/mol, XLogP of 7.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(4-ethoxyphenyl)-6-phenyl-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 4073969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).