3-(4-tert-butylphenyl)-2-phenyl-1H-indole

C24H23N — CID 12065981

IUPAC3-(4-tert-butylphenyl)-2-phenyl-1H-indole
SMILESCC(C)(C)c1ccc(-c2c(-c3ccccc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C24H23N/c1-24(2,3)19-15-13-17(14-16-19)22-20-11-7-8-12-21(20)25-23(22)18-9-5-4-6-10-18/h4-16,25H,1-3H3
InChIKeyXWQJPJIOGGUGPZ-UHFFFAOYSA-N
MW325.46 g/mol
LogP6.80
Rot. Bonds2

About 3-(4-tert-butylphenyl)-2-phenyl-1H-indole

3-(4-tert-butylphenyl)-2-phenyl-1H-indole (PubChem CID 12065981) has the molecular formula C24H23N and a molecular weight of 325.46 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-2-phenyl-1H-indole.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-2-phenyl-1H-indole
PubChem CID12065981
Molecular FormulaC24H23N
Molecular Weight325.46 g/mol
Exact Mass325.18
IUPAC Name3-(4-tert-butylphenyl)-2-phenyl-1H-indole
SMILESCC(C)(C)c1ccc(-c2c(-c3ccccc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C24H23N/c1-24(2,3)19-15-13-17(14-16-19)22-20-11-7-8-12-21(20)25-23(22)18-9-5-4-6-10-18/h4-16,25H,1-3H3
InChIKeyXWQJPJIOGGUGPZ-UHFFFAOYSA-N
XLogP6.80
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.46
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 3-(4-tert-butylphenyl)-2-phenyl-1H-indole 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 3-(4-tert-butylphenyl)-2-phenyl-1H-indole?
The IUPAC name of 3-(4-tert-butylphenyl)-2-phenyl-1H-indole (CID 12065981) is 3-(4-tert-butylphenyl)-2-phenyl-1H-indole.
What is the SMILES notation for 3-(4-tert-butylphenyl)-2-phenyl-1H-indole?
The canonical SMILES for 3-(4-tert-butylphenyl)-2-phenyl-1H-indole is CC(C)(C)c1ccc(-c2c(-c3ccccc3)[nH]c3ccccc23)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-2-phenyl-1H-indole?
The InChIKey is XWQJPJIOGGUGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N/c1-24(2,3)19-15-13-17(14-16-19)22-20-11-7-8-12-21(20)25-23(22)18-9-5-4-6-10-18/h4-16,25H,1-3H3.
What are the key properties of 3-(4-tert-butylphenyl)-2-phenyl-1H-indole?
3-(4-tert-butylphenyl)-2-phenyl-1H-indole has a molecular weight of 325.46 g/mol, XLogP of 6.80, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-2-phenyl-1H-indole is sourced from PubChem (CID 12065981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).