2-[2-(4-but-3-enylphenyl)ethynyl]-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene

C30H29F — CID 139876914

IUPAC2-[2-(4-but-3-enylphenyl)ethynyl]-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene
SMILESC=CCCc1ccc(C#Cc2ccc3cc(C4CCC(C=C)CC4)ccc3c2F)cc1
InChIInChI=1S/C30H29F/c1-3-5-6-23-7-9-24(10-8-23)13-16-26-17-18-28-21-27(19-20-29(28)30(26)31)25-14-11-22(4-2)12-15-25/h3-4,7-10,17-22,25H,1-2,5-6,11-12,14-15H2
InChIKeyFDLUQZFTYQTCEF-UHFFFAOYSA-N
MW408.56 g/mol
LogP7.96
Rot. Bonds5

About 2-[2-(4-but-3-enylphenyl)ethynyl]-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene

2-[2-(4-but-3-enylphenyl)ethynyl]-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene (PubChem CID 139876914) has the molecular formula C30H29F and a molecular weight of 408.56 g/mol. Its IUPAC name is 2-[2-(4-but-3-enylphenyl)ethynyl]-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene.

Molecular Properties

Compound Name2-[2-(4-but-3-enylphenyl)ethynyl]-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene
PubChem CID139876914
Molecular FormulaC30H29F
Molecular Weight408.56 g/mol
Exact Mass408.23
IUPAC Name2-[2-(4-but-3-enylphenyl)ethynyl]-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene
SMILESC=CCCc1ccc(C#Cc2ccc3cc(C4CCC(C=C)CC4)ccc3c2F)cc1
InChIInChI=1S/C30H29F/c1-3-5-6-23-7-9-24(10-8-23)13-16-26-17-18-28-21-27(19-20-29(28)30(26)31)25-14-11-22(4-2)12-15-25/h3-4,7-10,17-22,25H,1-2,5-6,11-12,14-15H2
InChIKeyFDLUQZFTYQTCEF-UHFFFAOYSA-N
XLogP7.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.56
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-[2-(4-but-3-enylphenyl)ethynyl]-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene 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

2-but-3-enyl-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene
CID 139862169
2-[2-[4-[2-(4-but-3-enylphenyl)ethynyl]phenyl]ethynyl]-1-fluoro-6-propylnaphthalene
CID 139876195
2-[2-(4-but-3-enylphenyl)ethynyl]-1-fluoro-6-[2-(4-propylphenyl)ethynyl]naphthalene
CID 139876095
6-but-3-enyl-2-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethynyl]-1-fluoronaphthalene
CID 139876866
2-[2-[4-(4-but-3-enylphenyl)phenyl]ethynyl]-1-fluoro-6-propylnaphthalene
CID 139877478
6-but-3-enyl-1-fluoro-2-[2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]ethynyl]naphthalene
CID 139876482
2-[2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]ethynyl]-1-fluoro-6-propylnaphthalene
CID 139876531
6-but-3-enyl-2-[2-[4-[2-(4-ethylphenyl)ethynyl]phenyl]ethynyl]-1-fluoronaphthalene
CID 139877193
6-[2-(4-ethenylcyclohexyl)ethyl]-1-fluoro-2-[2-(4-methylphenyl)ethynyl]naphthalene
CID 139877207
6-(4-but-3-enylphenyl)-2-[2-(4-butylphenyl)ethynyl]-1-fluoronaphthalene
CID 139876405
4-[2-[6-(4-but-3-enylcyclohexyl)-1-fluoronaphthalen-2-yl]ethynyl]-2-fluorobenzonitrile
CID 139851298
2-but-3-enyl-6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoronaphthalene
CID 139862071

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-but-3-enylphenyl)ethynyl]-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene?
The IUPAC name of 2-[2-(4-but-3-enylphenyl)ethynyl]-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene (CID 139876914) is 2-[2-(4-but-3-enylphenyl)ethynyl]-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene.
What is the SMILES notation for 2-[2-(4-but-3-enylphenyl)ethynyl]-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene?
The canonical SMILES for 2-[2-(4-but-3-enylphenyl)ethynyl]-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene is C=CCCc1ccc(C#Cc2ccc3cc(C4CCC(C=C)CC4)ccc3c2F)cc1.
What is the InChIKey of 2-[2-(4-but-3-enylphenyl)ethynyl]-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene?
The InChIKey is FDLUQZFTYQTCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F/c1-3-5-6-23-7-9-24(10-8-23)13-16-26-17-18-28-21-27(19-20-29(28)30(26)31)25-14-11-22(4-2)12-15-25/h3-4,7-10,17-22,25H,1-2,5-6,11-12,14-15H2.
What are the key properties of 2-[2-(4-but-3-enylphenyl)ethynyl]-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene?
2-[2-(4-but-3-enylphenyl)ethynyl]-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene has a molecular weight of 408.56 g/mol, XLogP of 7.96, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-but-3-enylphenyl)ethynyl]-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene is sourced from PubChem (CID 139876914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).