6-[2-(4-ethylphenyl)ethynyl]-1-fluoro-2-[2-(4-methylphenyl)ethyl]naphthalene

C29H25F — CID 139876364

IUPAC6-[2-(4-ethylphenyl)ethynyl]-1-fluoro-2-[2-(4-methylphenyl)ethyl]naphthalene
SMILESCCc1ccc(C#Cc2ccc3c(F)c(CCc4ccc(C)cc4)ccc3c2)cc1
InChIInChI=1S/C29H25F/c1-3-22-8-10-24(11-9-22)12-13-25-15-19-28-27(20-25)18-17-26(29(28)30)16-14-23-6-4-21(2)5-7-23/h4-11,15,17-20H,3,14,16H2,1-2H3
InChIKeyOGPKGBGFEJKTEI-UHFFFAOYSA-N
MW392.52 g/mol
LogP7.03
Rot. Bonds4

About 6-[2-(4-ethylphenyl)ethynyl]-1-fluoro-2-[2-(4-methylphenyl)ethyl]naphthalene

6-[2-(4-ethylphenyl)ethynyl]-1-fluoro-2-[2-(4-methylphenyl)ethyl]naphthalene (PubChem CID 139876364) has the molecular formula C29H25F and a molecular weight of 392.52 g/mol. Its IUPAC name is 6-[2-(4-ethylphenyl)ethynyl]-1-fluoro-2-[2-(4-methylphenyl)ethyl]naphthalene.

Molecular Properties

Compound Name6-[2-(4-ethylphenyl)ethynyl]-1-fluoro-2-[2-(4-methylphenyl)ethyl]naphthalene
PubChem CID139876364
Molecular FormulaC29H25F
Molecular Weight392.52 g/mol
Exact Mass392.19
IUPAC Name6-[2-(4-ethylphenyl)ethynyl]-1-fluoro-2-[2-(4-methylphenyl)ethyl]naphthalene
SMILESCCc1ccc(C#Cc2ccc3c(F)c(CCc4ccc(C)cc4)ccc3c2)cc1
InChIInChI=1S/C29H25F/c1-3-22-8-10-24(11-9-22)12-13-25-15-19-28-27(20-25)18-17-26(29(28)30)16-14-23-6-4-21(2)5-7-23/h4-11,15,17-20H,3,14,16H2,1-2H3
InChIKeyOGPKGBGFEJKTEI-UHFFFAOYSA-N
XLogP7.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-[2-(4-ethylphenyl)ethynyl]-1-fluoro-2-[2-(4-methylphenyl)ethyl]naphthalene 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

6-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-1-fluoro-2-propylnaphthalene
CID 139876912
6-[2-(4-but-3-enylphenyl)ethynyl]-1-fluoro-2-[2-(4-methylphenyl)ethyl]naphthalene
CID 139876900
1-fluoro-6-[2-[4-[2-(4-methylphenyl)ethyl]phenyl]ethynyl]-2-[(E)-pent-3-enyl]naphthalene
CID 139876065
1-fluoro-2-propyl-6-[2-[4-[2-(4-propylphenyl)ethynyl]phenyl]ethynyl]naphthalene
CID 139877196
6-[2-(4-ethylphenyl)ethynyl]-1-fluoro-2-heptylnaphthalene
CID 139876124
2-[2-(4-butylphenyl)ethyl]-1-fluoro-6-[2-(4-propylphenyl)ethynyl]naphthalene
CID 139877052
2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-6-[2-(4-ethylphenyl)ethynyl]-1-fluoronaphthalene
CID 139850823
6-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-1-fluoro-2-hexylnaphthalene
CID 139877289
2-but-3-enyl-6-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-1-fluoronaphthalene
CID 139875904
6-[2-[4-[2-(4-butylphenyl)ethyl]phenyl]ethynyl]-2-ethyl-1-fluoronaphthalene
CID 139876353
2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethyl)phenyl]ethyl]-6-[2-(4-ethylphenyl)ethynyl]-1-fluoronaphthalene
CID 139850660
1-fluoro-6-[2-(4-hexylphenyl)ethynyl]-2-[2-(4-propylphenyl)ethyl]naphthalene
CID 139876368

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-ethylphenyl)ethynyl]-1-fluoro-2-[2-(4-methylphenyl)ethyl]naphthalene?
The IUPAC name of 6-[2-(4-ethylphenyl)ethynyl]-1-fluoro-2-[2-(4-methylphenyl)ethyl]naphthalene (CID 139876364) is 6-[2-(4-ethylphenyl)ethynyl]-1-fluoro-2-[2-(4-methylphenyl)ethyl]naphthalene.
What is the SMILES notation for 6-[2-(4-ethylphenyl)ethynyl]-1-fluoro-2-[2-(4-methylphenyl)ethyl]naphthalene?
The canonical SMILES for 6-[2-(4-ethylphenyl)ethynyl]-1-fluoro-2-[2-(4-methylphenyl)ethyl]naphthalene is CCc1ccc(C#Cc2ccc3c(F)c(CCc4ccc(C)cc4)ccc3c2)cc1.
What is the InChIKey of 6-[2-(4-ethylphenyl)ethynyl]-1-fluoro-2-[2-(4-methylphenyl)ethyl]naphthalene?
The InChIKey is OGPKGBGFEJKTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F/c1-3-22-8-10-24(11-9-22)12-13-25-15-19-28-27(20-25)18-17-26(29(28)30)16-14-23-6-4-21(2)5-7-23/h4-11,15,17-20H,3,14,16H2,1-2H3.
What are the key properties of 6-[2-(4-ethylphenyl)ethynyl]-1-fluoro-2-[2-(4-methylphenyl)ethyl]naphthalene?
6-[2-(4-ethylphenyl)ethynyl]-1-fluoro-2-[2-(4-methylphenyl)ethyl]naphthalene has a molecular weight of 392.52 g/mol, XLogP of 7.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-ethylphenyl)ethynyl]-1-fluoro-2-[2-(4-methylphenyl)ethyl]naphthalene is sourced from PubChem (CID 139876364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).