1-benzyl-3-(4-oxo-2,6-diphenyl-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one

C35H27NO3 — CID 166437962

IUPAC1-benzyl-3-(4-oxo-2,6-diphenyl-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one
SMILESO=C1CC(c2ccccc2)Cc2oc(-c3ccccc3)c(C3C(=O)N(Cc4ccccc4)c4ccccc43)c21
InChIInChI=1S/C35H27NO3/c37-29-20-26(24-14-6-2-7-15-24)21-30-32(29)33(34(39-30)25-16-8-3-9-17-25)31-27-18-10-11-19-28(27)36(35(31)38)22-23-12-4-1-5-13-23/h1-19,26,31H,20-22H2
InChIKeyFJSZRGHRRLYAEJ-UHFFFAOYSA-N
MW509.61 g/mol
LogP7.54
Rot. Bonds5

About 1-benzyl-3-(4-oxo-2,6-diphenyl-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one

1-benzyl-3-(4-oxo-2,6-diphenyl-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one (PubChem CID 166437962) has the molecular formula C35H27NO3 and a molecular weight of 509.61 g/mol. Its IUPAC name is 1-benzyl-3-(4-oxo-2,6-diphenyl-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one.

Molecular Properties

Compound Name1-benzyl-3-(4-oxo-2,6-diphenyl-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one
PubChem CID166437962
Molecular FormulaC35H27NO3
Molecular Weight509.61 g/mol
Exact Mass509.20
IUPAC Name1-benzyl-3-(4-oxo-2,6-diphenyl-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one
SMILESO=C1CC(c2ccccc2)Cc2oc(-c3ccccc3)c(C3C(=O)N(Cc4ccccc4)c4ccccc43)c21
InChIInChI=1S/C35H27NO3/c37-29-20-26(24-14-6-2-7-15-24)21-30-32(29)33(34(39-30)25-16-8-3-9-17-25)31-27-18-10-11-19-28(27)36(35(31)38)22-23-12-4-1-5-13-23/h1-19,26,31H,20-22H2
InChIKeyFJSZRGHRRLYAEJ-UHFFFAOYSA-N
XLogP7.54
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.61
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-3-(4-oxo-2,6-diphenyl-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-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

2-(2,3-dihydro-1H-indol-1-ylcarbonyl)-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one
CID 972947
1-[(6-Methyl-1-benzofuran-3-yl)acetyl]indoline
CID 2080542
1-[5-[(2R,3S)-1-acetyl-2-(4-fluorophenyl)-2,3-dihydroindol-3-yl]-2-methylfuran-3-yl]ethanone
CID 132540914
14-[4-(Dimethylamino)benzoyl]-17-oxa-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-8,9-dione
CID 177659015
(3S)-3-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one
CID 26367368
3-[(5-Fluoro-3-methyl-1-benzofuran-2-YL)methyl]-1-methyl-2,3-dihydro-1H-indol-2-one
CID 43912425
(3S)-1-methyl-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-3H-indol-2-one
CID 98160418
1-Benzyl-3-(2-oxo-2-(2-furanyl)ethyl)-oxindole
CID 51035327
1-[5-[(2R,3S)-1-acetyl-2-phenyl-2,3-dihydroindol-3-yl]-2-methylfuran-3-yl]ethanone
CID 132540909
(4R,4aR,7aS)-2,4,6-triphenyl-4,4a,7a,8-tetrahydrofuro[3,2-f]isoindole-5,7-dione
CID 134949809
1-[5-[(2S,3S)-1-acetyl-2-propyl-2,3-dihydroindol-3-yl]-2-methylfuran-3-yl]ethanone
CID 134959285
3-(1-Benzofuran-2-ylmethyl)-1,3-dimethylindol-2-one
CID 134959861

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-oxo-2,6-diphenyl-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one?
The IUPAC name of 1-benzyl-3-(4-oxo-2,6-diphenyl-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one (CID 166437962) is 1-benzyl-3-(4-oxo-2,6-diphenyl-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one.
What is the SMILES notation for 1-benzyl-3-(4-oxo-2,6-diphenyl-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one?
The canonical SMILES for 1-benzyl-3-(4-oxo-2,6-diphenyl-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one is O=C1CC(c2ccccc2)Cc2oc(-c3ccccc3)c(C3C(=O)N(Cc4ccccc4)c4ccccc43)c21.
What is the InChIKey of 1-benzyl-3-(4-oxo-2,6-diphenyl-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one?
The InChIKey is FJSZRGHRRLYAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27NO3/c37-29-20-26(24-14-6-2-7-15-24)21-30-32(29)33(34(39-30)25-16-8-3-9-17-25)31-27-18-10-11-19-28(27)36(35(31)38)22-23-12-4-1-5-13-23/h1-19,26,31H,20-22H2.
What are the key properties of 1-benzyl-3-(4-oxo-2,6-diphenyl-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one?
1-benzyl-3-(4-oxo-2,6-diphenyl-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one has a molecular weight of 509.61 g/mol, XLogP of 7.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-oxo-2,6-diphenyl-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one is sourced from PubChem (CID 166437962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).