1-tert-butyl-3,5-diphenylbenzene

C22H22 — CID 3454836

IUPAC1-tert-butyl-3,5-diphenylbenzene
SMILESCC(C)(C)c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C22H22/c1-22(2,3)21-15-19(17-10-6-4-7-11-17)14-20(16-21)18-12-8-5-9-13-18/h4-16H,1-3H3
InChIKeyIZRHKQPUZVPUBW-UHFFFAOYSA-N
MW286.42 g/mol
LogP6.32
Rot. Bonds2

About 1-tert-butyl-3,5-diphenylbenzene

1-tert-butyl-3,5-diphenylbenzene (PubChem CID 3454836) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-tert-butyl-3,5-diphenylbenzene.

Molecular Properties

Compound Name1-tert-butyl-3,5-diphenylbenzene
PubChem CID3454836
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Name1-tert-butyl-3,5-diphenylbenzene
SMILESCC(C)(C)c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C22H22/c1-22(2,3)21-15-19(17-10-6-4-7-11-17)14-20(16-21)18-12-8-5-9-13-18/h4-16H,1-3H3
InChIKeyIZRHKQPUZVPUBW-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-tert-butyl-3,5-diphenylbenzene 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 1-tert-butyl-3,5-diphenylbenzene?
The IUPAC name of 1-tert-butyl-3,5-diphenylbenzene (CID 3454836) is 1-tert-butyl-3,5-diphenylbenzene.
What is the SMILES notation for 1-tert-butyl-3,5-diphenylbenzene?
The canonical SMILES for 1-tert-butyl-3,5-diphenylbenzene is CC(C)(C)c1cc(-c2ccccc2)cc(-c2ccccc2)c1.
What is the InChIKey of 1-tert-butyl-3,5-diphenylbenzene?
The InChIKey is IZRHKQPUZVPUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22/c1-22(2,3)21-15-19(17-10-6-4-7-11-17)14-20(16-21)18-12-8-5-9-13-18/h4-16H,1-3H3.
What are the key properties of 1-tert-butyl-3,5-diphenylbenzene?
1-tert-butyl-3,5-diphenylbenzene has a molecular weight of 286.42 g/mol, XLogP of 6.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,5-diphenylbenzene is sourced from PubChem (CID 3454836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).