5,7-dimethyl-1-(oxiran-2-ylmethyl)-2,3-diphenylindole

C25H23NO — CID 163358496

IUPAC5,7-dimethyl-1-(oxiran-2-ylmethyl)-2,3-diphenylindole
SMILESCc1cc(C)c2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2CC1CO1
InChIInChI=1S/C25H23NO/c1-17-13-18(2)24-22(14-17)23(19-9-5-3-6-10-19)25(20-11-7-4-8-12-20)26(24)15-21-16-27-21/h3-14,21H,15-16H2,1-2H3
InChIKeyXSSQDZHOZAHNGJ-UHFFFAOYSA-N
MW353.47 g/mol
LogP5.99
Rot. Bonds4

About 5,7-dimethyl-1-(oxiran-2-ylmethyl)-2,3-diphenylindole

5,7-dimethyl-1-(oxiran-2-ylmethyl)-2,3-diphenylindole (PubChem CID 163358496) has the molecular formula C25H23NO and a molecular weight of 353.47 g/mol. Its IUPAC name is 5,7-dimethyl-1-(oxiran-2-ylmethyl)-2,3-diphenylindole.

Molecular Properties

Compound Name5,7-dimethyl-1-(oxiran-2-ylmethyl)-2,3-diphenylindole
PubChem CID163358496
Molecular FormulaC25H23NO
Molecular Weight353.47 g/mol
Exact Mass353.18
IUPAC Name5,7-dimethyl-1-(oxiran-2-ylmethyl)-2,3-diphenylindole
SMILESCc1cc(C)c2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2CC1CO1
InChIInChI=1S/C25H23NO/c1-17-13-18(2)24-22(14-17)23(19-9-5-3-6-10-19)25(20-11-7-4-8-12-20)26(24)15-21-16-27-21/h3-14,21H,15-16H2,1-2H3
InChIKeyXSSQDZHOZAHNGJ-UHFFFAOYSA-N
XLogP5.99
TPSA17.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 5,7-dimethyl-1-(oxiran-2-ylmethyl)-2,3-diphenylindole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-1-(oxiran-2-ylmethyl)-2,3-diphenylindole?
The IUPAC name of 5,7-dimethyl-1-(oxiran-2-ylmethyl)-2,3-diphenylindole (CID 163358496) is 5,7-dimethyl-1-(oxiran-2-ylmethyl)-2,3-diphenylindole.
What is the SMILES notation for 5,7-dimethyl-1-(oxiran-2-ylmethyl)-2,3-diphenylindole?
The canonical SMILES for 5,7-dimethyl-1-(oxiran-2-ylmethyl)-2,3-diphenylindole is Cc1cc(C)c2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2CC1CO1.
What is the InChIKey of 5,7-dimethyl-1-(oxiran-2-ylmethyl)-2,3-diphenylindole?
The InChIKey is XSSQDZHOZAHNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO/c1-17-13-18(2)24-22(14-17)23(19-9-5-3-6-10-19)25(20-11-7-4-8-12-20)26(24)15-21-16-27-21/h3-14,21H,15-16H2,1-2H3.
What are the key properties of 5,7-dimethyl-1-(oxiran-2-ylmethyl)-2,3-diphenylindole?
5,7-dimethyl-1-(oxiran-2-ylmethyl)-2,3-diphenylindole has a molecular weight of 353.47 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-1-(oxiran-2-ylmethyl)-2,3-diphenylindole is sourced from PubChem (CID 163358496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).