1-[bis(4-tert-butylphenyl)methyl]-4-(trifluoromethyl)benzene

C28H31F3 — CID 155096011

IUPAC1-[bis(4-tert-butylphenyl)methyl]-4-(trifluoromethyl)benzene
SMILESCC(C)(C)c1ccc(C(c2ccc(C(C)(C)C)cc2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C28H31F3/c1-26(2,3)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(4,5)6)21-11-17-24(18-12-21)28(29,30)31/h7-18,25H,1-6H3
InChIKeyJFXHMYMDGQXQMU-UHFFFAOYSA-N
MW424.55 g/mol
LogP8.48
Rot. Bonds3

About 1-[bis(4-tert-butylphenyl)methyl]-4-(trifluoromethyl)benzene

1-[bis(4-tert-butylphenyl)methyl]-4-(trifluoromethyl)benzene (PubChem CID 155096011) has the molecular formula C28H31F3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 1-[bis(4-tert-butylphenyl)methyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[bis(4-tert-butylphenyl)methyl]-4-(trifluoromethyl)benzene
PubChem CID155096011
Molecular FormulaC28H31F3
Molecular Weight424.55 g/mol
Exact Mass424.24
IUPAC Name1-[bis(4-tert-butylphenyl)methyl]-4-(trifluoromethyl)benzene
SMILESCC(C)(C)c1ccc(C(c2ccc(C(C)(C)C)cc2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C28H31F3/c1-26(2,3)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(4,5)6)21-11-17-24(18-12-21)28(29,30)31/h7-18,25H,1-6H3
InChIKeyJFXHMYMDGQXQMU-UHFFFAOYSA-N
XLogP8.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 1-[bis(4-tert-butylphenyl)methyl]-4-(trifluoromethyl)benzene 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-[bis(4-ethylphenyl)methyl]-4-(trifluoromethyl)benzene
CID 142535811
1-[(2S)-3,3-dimethylbutan-2-yl]-4-(trifluoromethyl)benzene
CID 134170918
1-[(1S)-1-methoxyethyl]-4-(trifluoromethyl)benzene
CID 71379545
1-tert-butyl-4-[2-(4-tert-butylphenyl)-1,2-difluoroethyl]benzene
CID 58671895
1-[(2R)-3-methylbutan-2-yl]-4-(trifluoromethyl)benzene
CID 70880900
1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 20719271
(1R)-1-(4-tert-butylphenyl)ethanol
CID 6990572
1-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]propyl]benzene
CID 89021612
1-[(2R)-1-bromopropan-2-yl]-4-(trifluoromethyl)benzene
CID 97006533
(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 71134587
1-[bromo(difluoro)methyl]-4-(trifluoromethyl)benzene
CID 640457
1-tert-butyl-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 102293623

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-tert-butylphenyl)methyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[bis(4-tert-butylphenyl)methyl]-4-(trifluoromethyl)benzene (CID 155096011) is 1-[bis(4-tert-butylphenyl)methyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[bis(4-tert-butylphenyl)methyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[bis(4-tert-butylphenyl)methyl]-4-(trifluoromethyl)benzene is CC(C)(C)c1ccc(C(c2ccc(C(C)(C)C)cc2)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-[bis(4-tert-butylphenyl)methyl]-4-(trifluoromethyl)benzene?
The InChIKey is JFXHMYMDGQXQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F3/c1-26(2,3)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(4,5)6)21-11-17-24(18-12-21)28(29,30)31/h7-18,25H,1-6H3.
What are the key properties of 1-[bis(4-tert-butylphenyl)methyl]-4-(trifluoromethyl)benzene?
1-[bis(4-tert-butylphenyl)methyl]-4-(trifluoromethyl)benzene has a molecular weight of 424.55 g/mol, XLogP of 8.48, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-tert-butylphenyl)methyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 155096011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).