1-[2,2-bis(4-fluorophenyl)ethenyl]-4-tert-butylbenzene

C24H22F2 — CID 71055530

IUPAC1-[2,2-bis(4-fluorophenyl)ethenyl]-4-tert-butylbenzene
SMILESCC(C)(C)c1ccc(C=C(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H22F2/c1-24(2,3)20-10-4-17(5-11-20)16-23(18-6-12-21(25)13-7-18)19-8-14-22(26)15-9-19/h4-16H,1-3H3
InChIKeyVHMIDRFRFVVAHL-UHFFFAOYSA-N
MW348.44 g/mol
LogP6.85
Rot. Bonds3

About 1-[2,2-bis(4-fluorophenyl)ethenyl]-4-tert-butylbenzene

1-[2,2-bis(4-fluorophenyl)ethenyl]-4-tert-butylbenzene (PubChem CID 71055530) has the molecular formula C24H22F2 and a molecular weight of 348.44 g/mol. Its IUPAC name is 1-[2,2-bis(4-fluorophenyl)ethenyl]-4-tert-butylbenzene.

Molecular Properties

Compound Name1-[2,2-bis(4-fluorophenyl)ethenyl]-4-tert-butylbenzene
PubChem CID71055530
Molecular FormulaC24H22F2
Molecular Weight348.44 g/mol
Exact Mass348.17
IUPAC Name1-[2,2-bis(4-fluorophenyl)ethenyl]-4-tert-butylbenzene
SMILESCC(C)(C)c1ccc(C=C(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H22F2/c1-24(2,3)20-10-4-17(5-11-20)16-23(18-6-12-21(25)13-7-18)19-8-14-22(26)15-9-19/h4-16H,1-3H3
InChIKeyVHMIDRFRFVVAHL-UHFFFAOYSA-N
XLogP6.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.44
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-tert-butylphenyl)-1-(4-hydroxyphenyl)ethenyl]phenol
CID 148506571
4-[(E)-2-(4-fluorophenyl)-1-phenylethenyl]-N,N-dimethylaniline
CID 101071138
1-(2,2-diphenylethenyl)-4-[tris[4-(2,2-diphenylethenyl)phenyl]methyl]benzene
CID 23400804
2,3-bis[2-[4-[2-(4-tert-butylphenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene
CID 59100430
4-tert-butyl-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 679105
(Z)-1-(4-fluorophenyl)-3,3-dimethylbut-1-en-2-ol
CID 59942455
1-tert-butyl-4-(2,2-dibromoethenyl)benzene
CID 95993486
1-tert-butyl-4-(2,2-dichloroethenyl)benzene
CID 23186111
[(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] (E)-3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate
CID 2100522
1-(trifluoromethyl)-4-[(Z)-2-[4-[1-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]-1-[4-[(Z)-2-[4-(trifluoromethyl)phenyl]-2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 177464868
(R)-(4-tert-butylphenyl)-(4-fluorophenyl)methanol
CID 7146431
1-tert-butyl-4-[(E)-2-phenylprop-1-enyl]benzene
CID 156672934

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-bis(4-fluorophenyl)ethenyl]-4-tert-butylbenzene?
The IUPAC name of 1-[2,2-bis(4-fluorophenyl)ethenyl]-4-tert-butylbenzene (CID 71055530) is 1-[2,2-bis(4-fluorophenyl)ethenyl]-4-tert-butylbenzene.
What is the SMILES notation for 1-[2,2-bis(4-fluorophenyl)ethenyl]-4-tert-butylbenzene?
The canonical SMILES for 1-[2,2-bis(4-fluorophenyl)ethenyl]-4-tert-butylbenzene is CC(C)(C)c1ccc(C=C(c2ccc(F)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[2,2-bis(4-fluorophenyl)ethenyl]-4-tert-butylbenzene?
The InChIKey is VHMIDRFRFVVAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2/c1-24(2,3)20-10-4-17(5-11-20)16-23(18-6-12-21(25)13-7-18)19-8-14-22(26)15-9-19/h4-16H,1-3H3.
What are the key properties of 1-[2,2-bis(4-fluorophenyl)ethenyl]-4-tert-butylbenzene?
1-[2,2-bis(4-fluorophenyl)ethenyl]-4-tert-butylbenzene has a molecular weight of 348.44 g/mol, XLogP of 6.85, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-bis(4-fluorophenyl)ethenyl]-4-tert-butylbenzene is sourced from PubChem (CID 71055530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).