1-fluoro-2-propyl-6-[2-[4-[2-(4-propylphenyl)ethynyl]phenyl]ethynyl]naphthalene

C32H27F — CID 139877196

IUPAC1-fluoro-2-propyl-6-[2-[4-[2-(4-propylphenyl)ethynyl]phenyl]ethynyl]naphthalene
SMILESCCCc1ccc(C#Cc2ccc(C#Cc3ccc4c(F)c(CCC)ccc4c3)cc2)cc1
InChIInChI=1S/C32H27F/c1-3-5-24-7-9-25(10-8-24)11-12-26-13-15-27(16-14-26)17-18-28-19-22-31-30(23-28)21-20-29(6-4-2)32(31)33/h7-10,13-16,19-23H,3-6H2,1-2H3
InChIKeyNEQBBULLIQNCKB-UHFFFAOYSA-N
MW430.57 g/mol
LogP7.68
Rot. Bonds4

About 1-fluoro-2-propyl-6-[2-[4-[2-(4-propylphenyl)ethynyl]phenyl]ethynyl]naphthalene

1-fluoro-2-propyl-6-[2-[4-[2-(4-propylphenyl)ethynyl]phenyl]ethynyl]naphthalene (PubChem CID 139877196) has the molecular formula C32H27F and a molecular weight of 430.57 g/mol. Its IUPAC name is 1-fluoro-2-propyl-6-[2-[4-[2-(4-propylphenyl)ethynyl]phenyl]ethynyl]naphthalene.

Molecular Properties

Compound Name1-fluoro-2-propyl-6-[2-[4-[2-(4-propylphenyl)ethynyl]phenyl]ethynyl]naphthalene
PubChem CID139877196
Molecular FormulaC32H27F
Molecular Weight430.57 g/mol
Exact Mass430.21
IUPAC Name1-fluoro-2-propyl-6-[2-[4-[2-(4-propylphenyl)ethynyl]phenyl]ethynyl]naphthalene
SMILESCCCc1ccc(C#Cc2ccc(C#Cc3ccc4c(F)c(CCC)ccc4c3)cc2)cc1
InChIInChI=1S/C32H27F/c1-3-5-24-7-9-25(10-8-24)11-12-26-13-15-27(16-14-26)17-18-28-19-22-31-30(23-28)21-20-29(6-4-2)32(31)33/h7-10,13-16,19-23H,3-6H2,1-2H3
InChIKeyNEQBBULLIQNCKB-UHFFFAOYSA-N
XLogP7.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.57
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-fluoro-2-propyl-6-[2-[4-[2-(4-propylphenyl)ethynyl]phenyl]ethynyl]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

1-fluoro-2-pentyl-6-[2-[4-[2-(4-propylphenyl)ethynyl]phenyl]ethynyl]naphthalene
CID 139877137
1-fluoro-2-heptyl-6-[2-[4-[2-(4-propylphenyl)ethynyl]phenyl]ethynyl]naphthalene
CID 139876512
1-fluoro-6-[2-(4-hexylphenyl)ethynyl]-2-propylnaphthalene
CID 139875712
2-[2-(4-butylphenyl)ethyl]-1-fluoro-6-[2-(4-propylphenyl)ethynyl]naphthalene
CID 139877052
6-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-1-fluoro-2-propylnaphthalene
CID 139876912
1-fluoro-6-[2-(4-hexylphenyl)ethynyl]-2-[2-(4-propylphenyl)ethyl]naphthalene
CID 139876368
1-fluoro-6-[2-[4-[2-(4-hexylphenyl)ethyl]phenyl]ethynyl]-2-pentylnaphthalene
CID 139877511
2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-fluoro-6-[2-(4-propylphenyl)ethynyl]naphthalene
CID 139850766
6-[2-[4-[2-(4-butylphenyl)ethyl]phenyl]ethynyl]-2-ethyl-1-fluoronaphthalene
CID 139876353
6-[2-(4-ethylphenyl)ethynyl]-1-fluoro-2-heptylnaphthalene
CID 139876124
6-[2-(4-ethylphenyl)ethynyl]-1-fluoro-2-[2-(4-methylphenyl)ethyl]naphthalene
CID 139876364
2-butyl-1-fluoro-6-[2-[4-(4-heptylphenyl)phenyl]ethynyl]naphthalene
CID 139876275

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-propyl-6-[2-[4-[2-(4-propylphenyl)ethynyl]phenyl]ethynyl]naphthalene?
The IUPAC name of 1-fluoro-2-propyl-6-[2-[4-[2-(4-propylphenyl)ethynyl]phenyl]ethynyl]naphthalene (CID 139877196) is 1-fluoro-2-propyl-6-[2-[4-[2-(4-propylphenyl)ethynyl]phenyl]ethynyl]naphthalene.
What is the SMILES notation for 1-fluoro-2-propyl-6-[2-[4-[2-(4-propylphenyl)ethynyl]phenyl]ethynyl]naphthalene?
The canonical SMILES for 1-fluoro-2-propyl-6-[2-[4-[2-(4-propylphenyl)ethynyl]phenyl]ethynyl]naphthalene is CCCc1ccc(C#Cc2ccc(C#Cc3ccc4c(F)c(CCC)ccc4c3)cc2)cc1.
What is the InChIKey of 1-fluoro-2-propyl-6-[2-[4-[2-(4-propylphenyl)ethynyl]phenyl]ethynyl]naphthalene?
The InChIKey is NEQBBULLIQNCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27F/c1-3-5-24-7-9-25(10-8-24)11-12-26-13-15-27(16-14-26)17-18-28-19-22-31-30(23-28)21-20-29(6-4-2)32(31)33/h7-10,13-16,19-23H,3-6H2,1-2H3.
What are the key properties of 1-fluoro-2-propyl-6-[2-[4-[2-(4-propylphenyl)ethynyl]phenyl]ethynyl]naphthalene?
1-fluoro-2-propyl-6-[2-[4-[2-(4-propylphenyl)ethynyl]phenyl]ethynyl]naphthalene has a molecular weight of 430.57 g/mol, XLogP of 7.68, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-propyl-6-[2-[4-[2-(4-propylphenyl)ethynyl]phenyl]ethynyl]naphthalene is sourced from PubChem (CID 139877196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).