6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-2-benzofuran-1-one

C25H26N2O2 — CID 20731315

IUPAC6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-2-benzofuran-1-one
SMILESCc1ccc(C2(c3ccc(N(C)C)cc3)OC(=O)c3cc(N(C)C)ccc32)cc1
InChIInChI=1S/C25H26N2O2/c1-17-6-8-18(9-7-17)25(19-10-12-20(13-11-19)26(2)3)23-15-14-21(27(4)5)16-22(23)24(28)29-25/h6-16H,1-5H3
InChIKeyYNBDGFXBUULWTQ-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.59
Rot. Bonds4

About 6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-2-benzofuran-1-one

6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-2-benzofuran-1-one (PubChem CID 20731315) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-2-benzofuran-1-one.

Molecular Properties

Compound Name6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-2-benzofuran-1-one
PubChem CID20731315
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-2-benzofuran-1-one
SMILESCc1ccc(C2(c3ccc(N(C)C)cc3)OC(=O)c3cc(N(C)C)ccc32)cc1
InChIInChI=1S/C25H26N2O2/c1-17-6-8-18(9-7-17)25(19-10-12-20(13-11-19)26(2)3)23-15-14-21(27(4)5)16-22(23)24(28)29-25/h6-16H,1-5H3
InChIKeyYNBDGFXBUULWTQ-UHFFFAOYSA-N
XLogP4.59
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

Analyze 6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-2-benzofuran-1-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

3,3-bis(4-anilinophenyl)-6-(dimethylamino)-2-benzofuran-1-one
CID 154100598
6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-3-(3-methyl-1H-pyrrol-2-yl)-2-benzofuran-1-one
CID 19098059
3,3-bis[4-(dimethylamino)phenyl]-6-dimethylarsanyl-2-benzofuran-1-one
CID 87968651
6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-3-[2-methyl-4-[methyl(prop-2-enyl)amino]phenyl]-2-benzofuran-1-one
CID 22153994
5,6-dichloro-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one
CID 20525380
6-(dimethylamino)-3-[3-(dimethylamino)phenyl]-3-(1-methylpyrrol-3-yl)-2-benzofuran-1-one
CID 122615141
6'-(dimethylamino)-2'-(N,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 54258165
3-(1-butyl-2-methylindol-3-yl)-6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-2-benzofuran-1-one
CID 58964023
3-[[1,1-bis[4-(dimethylamino)phenyl]-3-oxo-2-benzofuran-5-yl]-methylamino]propyl 2-methylprop-2-enoate
CID 20710250
bis(3',6'-bis(dimethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one);ethane
CID 158025143
[4-[(2-carboxy-4-methylphenyl)-(4-methylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;3-[4-(dimethylamino)phenyl]-6-methyl-3-(4-methylphenyl)-2-benzofuran-1-one;hydron;methanamine
CID 160760516
[5-(dimethylamino)-2-[1-[4-[[6'-(N,4-dimethylanilino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]-methylamino]phenyl]-3-oxo-2-benzofuran-1-yl]phenyl] acetate
CID 54370889

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-2-benzofuran-1-one?
The IUPAC name of 6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-2-benzofuran-1-one (CID 20731315) is 6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-2-benzofuran-1-one.
What is the SMILES notation for 6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-2-benzofuran-1-one?
The canonical SMILES for 6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-2-benzofuran-1-one is Cc1ccc(C2(c3ccc(N(C)C)cc3)OC(=O)c3cc(N(C)C)ccc32)cc1.
What is the InChIKey of 6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-2-benzofuran-1-one?
The InChIKey is YNBDGFXBUULWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-17-6-8-18(9-7-17)25(19-10-12-20(13-11-19)26(2)3)23-15-14-21(27(4)5)16-22(23)24(28)29-25/h6-16H,1-5H3.
What are the key properties of 6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-2-benzofuran-1-one?
6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-2-benzofuran-1-one has a molecular weight of 386.50 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-2-benzofuran-1-one is sourced from PubChem (CID 20731315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).