1-(4-ethylphenyl)-4-[2-(4-ethylphenyl)ethynyl]-2,3-difluorobenzene

C24H20F2 — CID 67865174

IUPAC1-(4-ethylphenyl)-4-[2-(4-ethylphenyl)ethynyl]-2,3-difluorobenzene
SMILESCCc1ccc(C#Cc2ccc(-c3ccc(CC)cc3)c(F)c2F)cc1
InChIInChI=1S/C24H20F2/c1-3-17-5-7-19(8-6-17)11-14-21-15-16-22(24(26)23(21)25)20-12-9-18(4-2)10-13-20/h5-10,12-13,15-16H,3-4H2,1-2H3
InChIKeyHENZWPXEWCZBDO-UHFFFAOYSA-N
MW346.42 g/mol
LogP6.16
Rot. Bonds3

About 1-(4-ethylphenyl)-4-[2-(4-ethylphenyl)ethynyl]-2,3-difluorobenzene

1-(4-ethylphenyl)-4-[2-(4-ethylphenyl)ethynyl]-2,3-difluorobenzene (PubChem CID 67865174) has the molecular formula C24H20F2 and a molecular weight of 346.42 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-4-[2-(4-ethylphenyl)ethynyl]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-(4-ethylphenyl)-4-[2-(4-ethylphenyl)ethynyl]-2,3-difluorobenzene
PubChem CID67865174
Molecular FormulaC24H20F2
Molecular Weight346.42 g/mol
Exact Mass346.15
IUPAC Name1-(4-ethylphenyl)-4-[2-(4-ethylphenyl)ethynyl]-2,3-difluorobenzene
SMILESCCc1ccc(C#Cc2ccc(-c3ccc(CC)cc3)c(F)c2F)cc1
InChIInChI=1S/C24H20F2/c1-3-17-5-7-19(8-6-17)11-14-21-15-16-22(24(26)23(21)25)20-12-9-18(4-2)10-13-20/h5-10,12-13,15-16H,3-4H2,1-2H3
InChIKeyHENZWPXEWCZBDO-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.42
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(4-ethylphenyl)-4-[2-(4-ethylphenyl)ethynyl]-2,3-difluorobenzene 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-[2-[4-[2-(4-ethylphenyl)ethynyl]phenyl]ethynyl]-2,3-difluoro-4-methylbenzene
CID 22112244
2,3-difluoro-1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethynyl]benzene
CID 67864568
2,3-difluoro-1-[2-(4-pentylphenyl)ethynyl]-4-(4-propylphenyl)benzene
CID 67865358
1-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-4-fluoro-2-methylbenzene
CID 102146472
1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-methylbenzene
CID 147217763
4-(4-ethylphenyl)-2,3-difluorophenol
CID 19911018
(4R,5R)-2-[4-[2-[2,3-difluoro-4-(4-propylphenyl)phenyl]ethynyl]phenyl]-1,3-dioxolane-4,5-dicarboxylate
CID 22859313
1-[2-[4-[2-(4-ethylphenyl)ethynyl]phenyl]ethynyl]-2-fluoro-4-methylbenzene
CID 22112182
4-ethyl-2-fluoro-1-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene
CID 22112344
2-(4-ethylphenyl)-1-fluoro-6-[2-(4-hexylphenyl)ethynyl]naphthalene
CID 139877520
1-(4-butylphenyl)-2,3-difluoro-4-[2-(3-fluoro-4-isothiocyanatophenyl)ethynyl]benzene
CID 170532827
2,6-difluoro-3-[2-[4-(4-propylphenyl)phenyl]ethynyl]pyridine;3-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-2,6-difluoropyridine
CID 67924025

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-4-[2-(4-ethylphenyl)ethynyl]-2,3-difluorobenzene?
The IUPAC name of 1-(4-ethylphenyl)-4-[2-(4-ethylphenyl)ethynyl]-2,3-difluorobenzene (CID 67865174) is 1-(4-ethylphenyl)-4-[2-(4-ethylphenyl)ethynyl]-2,3-difluorobenzene.
What is the SMILES notation for 1-(4-ethylphenyl)-4-[2-(4-ethylphenyl)ethynyl]-2,3-difluorobenzene?
The canonical SMILES for 1-(4-ethylphenyl)-4-[2-(4-ethylphenyl)ethynyl]-2,3-difluorobenzene is CCc1ccc(C#Cc2ccc(-c3ccc(CC)cc3)c(F)c2F)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-4-[2-(4-ethylphenyl)ethynyl]-2,3-difluorobenzene?
The InChIKey is HENZWPXEWCZBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2/c1-3-17-5-7-19(8-6-17)11-14-21-15-16-22(24(26)23(21)25)20-12-9-18(4-2)10-13-20/h5-10,12-13,15-16H,3-4H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-4-[2-(4-ethylphenyl)ethynyl]-2,3-difluorobenzene?
1-(4-ethylphenyl)-4-[2-(4-ethylphenyl)ethynyl]-2,3-difluorobenzene has a molecular weight of 346.42 g/mol, XLogP of 6.16, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-4-[2-(4-ethylphenyl)ethynyl]-2,3-difluorobenzene is sourced from PubChem (CID 67865174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).