1-benzyl-3-(3,4,5-trimethoxyphenyl)selanylindole

C24H23NO3Se — CID 74763463

IUPAC1-benzyl-3-(3,4,5-trimethoxyphenyl)selanylindole
SMILESCOc1cc([Se]c2cn(Cc3ccccc3)c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C24H23NO3Se/c1-26-21-13-18(14-22(27-2)24(21)28-3)29-23-16-25(15-17-9-5-4-6-10-17)20-12-8-7-11-19(20)23/h4-14,16H,15H2,1-3H3
InChIKeyIKQYWFQXBGGICH-UHFFFAOYSA-N
MW452.41 g/mol
LogP3.37
Rot. Bonds7

About 1-benzyl-3-(3,4,5-trimethoxyphenyl)selanylindole

1-benzyl-3-(3,4,5-trimethoxyphenyl)selanylindole (PubChem CID 74763463) has the molecular formula C24H23NO3Se and a molecular weight of 452.41 g/mol. Its IUPAC name is 1-benzyl-3-(3,4,5-trimethoxyphenyl)selanylindole.

Molecular Properties

Compound Name1-benzyl-3-(3,4,5-trimethoxyphenyl)selanylindole
PubChem CID74763463
Molecular FormulaC24H23NO3Se
Molecular Weight452.41 g/mol
Exact Mass453.08
IUPAC Name1-benzyl-3-(3,4,5-trimethoxyphenyl)selanylindole
SMILESCOc1cc([Se]c2cn(Cc3ccccc3)c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C24H23NO3Se/c1-26-21-13-18(14-22(27-2)24(21)28-3)29-23-16-25(15-17-9-5-4-6-10-17)20-12-8-7-11-19(20)23/h4-14,16H,15H2,1-3H3
InChIKeyIKQYWFQXBGGICH-UHFFFAOYSA-N
XLogP3.37
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.41
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-benzyl-3-(3,4,5-trimethoxyphenyl)selanylindole 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-benzyl-3-phenylselanylindole
CID 101452590
1-benzyl-3-(1-benzyl-5,6-dimethoxyindol-3-yl)-5,6-dimethoxyindole
CID 25140580
1-benzyl-3-(3,4-dimethoxybenzoyl)quinolin-4-one
CID 2137046
1-benzyl-3-(3,5-dimethoxyphenyl)indole
CID 66552988
N-[(1-benzylindol-3-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 124818287
3-benzyl-1-[(3,4-dimethoxyphenyl)methyl]indole
CID 53474780
1-benzyl-3-methylindole;ethane
CID 145343697
2-benzyl-4-(3,4,5-trimethoxyanilino)isoquinolin-1-one
CID 76683748
1-benzyl-3-[1-(1-benzylindol-3-yl)butyl]indole
CID 22019299
1-benzyl-5,6-dimethoxyindole-3-carbaldehyde
CID 54532101
N-(5-acetamido-2-methoxyphenyl)-2-(1-benzylindol-3-yl)acetamide
CID 16820622
[1-[(3,4-dimethoxyphenyl)methyl]indol-3-yl]-trimethylazanium
CID 102432985

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3,4,5-trimethoxyphenyl)selanylindole?
The IUPAC name of 1-benzyl-3-(3,4,5-trimethoxyphenyl)selanylindole (CID 74763463) is 1-benzyl-3-(3,4,5-trimethoxyphenyl)selanylindole.
What is the SMILES notation for 1-benzyl-3-(3,4,5-trimethoxyphenyl)selanylindole?
The canonical SMILES for 1-benzyl-3-(3,4,5-trimethoxyphenyl)selanylindole is COc1cc([Se]c2cn(Cc3ccccc3)c3ccccc23)cc(OC)c1OC.
What is the InChIKey of 1-benzyl-3-(3,4,5-trimethoxyphenyl)selanylindole?
The InChIKey is IKQYWFQXBGGICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3Se/c1-26-21-13-18(14-22(27-2)24(21)28-3)29-23-16-25(15-17-9-5-4-6-10-17)20-12-8-7-11-19(20)23/h4-14,16H,15H2,1-3H3.
What are the key properties of 1-benzyl-3-(3,4,5-trimethoxyphenyl)selanylindole?
1-benzyl-3-(3,4,5-trimethoxyphenyl)selanylindole has a molecular weight of 452.41 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3,4,5-trimethoxyphenyl)selanylindole is sourced from PubChem (CID 74763463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).