1-[bis(4-ethylphenyl)methyl]-4-(trifluoromethyl)benzene

C24H23F3 — CID 142535811

IUPAC1-[bis(4-ethylphenyl)methyl]-4-(trifluoromethyl)benzene
SMILESCCc1ccc(C(c2ccc(CC)cc2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C24H23F3/c1-3-17-5-9-19(10-6-17)23(20-11-7-18(4-2)8-12-20)21-13-15-22(16-14-21)24(25,26)27/h5-16,23H,3-4H2,1-2H3
InChIKeyXYIIMWBPLNBFSY-UHFFFAOYSA-N
MW368.44 g/mol
LogP7.01
Rot. Bonds5

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

1-[bis(4-ethylphenyl)methyl]-4-(trifluoromethyl)benzene (PubChem CID 142535811) has the molecular formula C24H23F3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-[bis(4-ethylphenyl)methyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[bis(4-ethylphenyl)methyl]-4-(trifluoromethyl)benzene
PubChem CID142535811
Molecular FormulaC24H23F3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name1-[bis(4-ethylphenyl)methyl]-4-(trifluoromethyl)benzene
SMILESCCc1ccc(C(c2ccc(CC)cc2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C24H23F3/c1-3-17-5-9-19(10-6-17)23(20-11-7-18(4-2)8-12-20)21-13-15-22(16-14-21)24(25,26)27/h5-16,23H,3-4H2,1-2H3
InChIKeyXYIIMWBPLNBFSY-UHFFFAOYSA-N
XLogP7.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene
CID 19095059
2-(4-ethylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 115803330
1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-(trifluoromethyl)benzene
CID 63431717
1-ethyl-4-(trifluoromethyl)benzene;hexane
CID 143348513
1-[bis(4-tert-butylphenyl)methyl]-4-(trifluoromethyl)benzene
CID 155096011
1-ethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 76576198
1-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]propyl]benzene
CID 89021612
2-[4-(trifluoromethyl)phenyl]butanenitrile
CID 66855883
1-tert-butyl-3,5-difluorobenzene;1-ethyl-4-(trifluoromethyl)benzene;propane
CID 156743103
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 34972442
(1R)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 10192650
1-(3-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 115823932

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-ethylphenyl)methyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[bis(4-ethylphenyl)methyl]-4-(trifluoromethyl)benzene (CID 142535811) is 1-[bis(4-ethylphenyl)methyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[bis(4-ethylphenyl)methyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[bis(4-ethylphenyl)methyl]-4-(trifluoromethyl)benzene is CCc1ccc(C(c2ccc(CC)cc2)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-[bis(4-ethylphenyl)methyl]-4-(trifluoromethyl)benzene?
The InChIKey is XYIIMWBPLNBFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3/c1-3-17-5-9-19(10-6-17)23(20-11-7-18(4-2)8-12-20)21-13-15-22(16-14-21)24(25,26)27/h5-16,23H,3-4H2,1-2H3.
What are the key properties of 1-[bis(4-ethylphenyl)methyl]-4-(trifluoromethyl)benzene?
1-[bis(4-ethylphenyl)methyl]-4-(trifluoromethyl)benzene has a molecular weight of 368.44 g/mol, XLogP of 7.01, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-ethylphenyl)methyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 142535811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).