4-tert-butyl-2,6-diphenylaniline

C22H23N — CID 5152387

IUPAC4-tert-butyl-2,6-diphenylaniline
SMILESCC(C)(C)c1cc(-c2ccccc2)c(N)c(-c2ccccc2)c1
InChIInChI=1S/C22H23N/c1-22(2,3)18-14-19(16-10-6-4-7-11-16)21(23)20(15-18)17-12-8-5-9-13-17/h4-15H,23H2,1-3H3
InChIKeyQDADOVYTWGTHOZ-UHFFFAOYSA-N
MW301.43 g/mol
LogP5.90
Rot. Bonds2

About 4-tert-butyl-2,6-diphenylaniline

4-tert-butyl-2,6-diphenylaniline (PubChem CID 5152387) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is 4-tert-butyl-2,6-diphenylaniline.

Molecular Properties

Compound Name4-tert-butyl-2,6-diphenylaniline
PubChem CID5152387
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC Name4-tert-butyl-2,6-diphenylaniline
SMILESCC(C)(C)c1cc(-c2ccccc2)c(N)c(-c2ccccc2)c1
InChIInChI=1S/C22H23N/c1-22(2,3)18-14-19(16-10-6-4-7-11-16)21(23)20(15-18)17-12-8-5-9-13-17/h4-15H,23H2,1-3H3
InChIKeyQDADOVYTWGTHOZ-UHFFFAOYSA-N
XLogP5.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,6-diphenylaniline?
The IUPAC name of 4-tert-butyl-2,6-diphenylaniline (CID 5152387) is 4-tert-butyl-2,6-diphenylaniline.
What is the SMILES notation for 4-tert-butyl-2,6-diphenylaniline?
The canonical SMILES for 4-tert-butyl-2,6-diphenylaniline is CC(C)(C)c1cc(-c2ccccc2)c(N)c(-c2ccccc2)c1.
What is the InChIKey of 4-tert-butyl-2,6-diphenylaniline?
The InChIKey is QDADOVYTWGTHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N/c1-22(2,3)18-14-19(16-10-6-4-7-11-16)21(23)20(15-18)17-12-8-5-9-13-17/h4-15H,23H2,1-3H3.
What are the key properties of 4-tert-butyl-2,6-diphenylaniline?
4-tert-butyl-2,6-diphenylaniline has a molecular weight of 301.43 g/mol, XLogP of 5.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,6-diphenylaniline is sourced from PubChem (CID 5152387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).