5-dibenzofuran-1-yl-1-(2-methylbenzoyl)-2-methylideneindol-3-one

C29H19NO3 — CID 163394849

IUPAC5-dibenzofuran-1-yl-1-(2-methylbenzoyl)-2-methylideneindol-3-one
SMILESC=C1C(=O)c2cc(-c3cccc4oc5ccccc5c34)ccc2N1C(=O)c1ccccc1C
InChIInChI=1S/C29H19NO3/c1-17-8-3-4-9-20(17)29(32)30-18(2)28(31)23-16-19(14-15-24(23)30)21-11-7-13-26-27(21)22-10-5-6-12-25(22)33-26/h3-16H,2H2,1H3
InChIKeyLLIXAGWYSSYSKI-UHFFFAOYSA-N
MW429.48 g/mol
LogP6.92
Rot. Bonds2

About 5-dibenzofuran-1-yl-1-(2-methylbenzoyl)-2-methylideneindol-3-one

5-dibenzofuran-1-yl-1-(2-methylbenzoyl)-2-methylideneindol-3-one (PubChem CID 163394849) has the molecular formula C29H19NO3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 5-dibenzofuran-1-yl-1-(2-methylbenzoyl)-2-methylideneindol-3-one.

Molecular Properties

Compound Name5-dibenzofuran-1-yl-1-(2-methylbenzoyl)-2-methylideneindol-3-one
PubChem CID163394849
Molecular FormulaC29H19NO3
Molecular Weight429.48 g/mol
Exact Mass429.14
IUPAC Name5-dibenzofuran-1-yl-1-(2-methylbenzoyl)-2-methylideneindol-3-one
SMILESC=C1C(=O)c2cc(-c3cccc4oc5ccccc5c34)ccc2N1C(=O)c1ccccc1C
InChIInChI=1S/C29H19NO3/c1-17-8-3-4-9-20(17)29(32)30-18(2)28(31)23-16-19(14-15-24(23)30)21-11-7-13-26-27(21)22-10-5-6-12-25(22)33-26/h3-16H,2H2,1H3
InChIKeyLLIXAGWYSSYSKI-UHFFFAOYSA-N
XLogP6.92
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.48
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-dibenzofuran-1-yl-1-(2-methylbenzoyl)-2-methylideneindol-3-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

1-[3-(5-bromo-2-methylphenyl)-4-methylphenyl]dibenzofuran
CID 166923235
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
14-(2-chlorophenyl)-10,18-di(dibenzofuran-1-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
CID 121446907
1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
CID 90265769
1-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran
CID 146397549
4,10-di(dibenzofuran-1-yl)-18-[2-(2-methylphenyl)cyclopenta-1,4-dien-1-yl]-14-(2-penta-1,2-dien-3-yl-4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaene
CID 145108575
3-dibenzofuran-1-yl-9-methylcarbazole
CID 137388254
2,10-di(dibenzofuran-1-yl)-6,6-dimethylbenzo[d][1,3]benzodioxepine
CID 121441918
1-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 135131462
3-dibenzofuran-1-yl-5-methyl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142352819
5,20-di(dibenzofuran-1-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene
CID 154591217
2-(2-methylphenyl)dibenzofuran
CID 118188503

Frequently Asked Questions

What is the IUPAC name of 5-dibenzofuran-1-yl-1-(2-methylbenzoyl)-2-methylideneindol-3-one?
The IUPAC name of 5-dibenzofuran-1-yl-1-(2-methylbenzoyl)-2-methylideneindol-3-one (CID 163394849) is 5-dibenzofuran-1-yl-1-(2-methylbenzoyl)-2-methylideneindol-3-one.
What is the SMILES notation for 5-dibenzofuran-1-yl-1-(2-methylbenzoyl)-2-methylideneindol-3-one?
The canonical SMILES for 5-dibenzofuran-1-yl-1-(2-methylbenzoyl)-2-methylideneindol-3-one is C=C1C(=O)c2cc(-c3cccc4oc5ccccc5c34)ccc2N1C(=O)c1ccccc1C.
What is the InChIKey of 5-dibenzofuran-1-yl-1-(2-methylbenzoyl)-2-methylideneindol-3-one?
The InChIKey is LLIXAGWYSSYSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19NO3/c1-17-8-3-4-9-20(17)29(32)30-18(2)28(31)23-16-19(14-15-24(23)30)21-11-7-13-26-27(21)22-10-5-6-12-25(22)33-26/h3-16H,2H2,1H3.
What are the key properties of 5-dibenzofuran-1-yl-1-(2-methylbenzoyl)-2-methylideneindol-3-one?
5-dibenzofuran-1-yl-1-(2-methylbenzoyl)-2-methylideneindol-3-one has a molecular weight of 429.48 g/mol, XLogP of 6.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dibenzofuran-1-yl-1-(2-methylbenzoyl)-2-methylideneindol-3-one is sourced from PubChem (CID 163394849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).