6-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-1-fluoro-2-propylnaphthalene

C29H25F — CID 139876912

IUPAC6-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-1-fluoro-2-propylnaphthalene
SMILESCCCc1ccc2cc(C#Cc3ccc(-c4ccc(CC)cc4)cc3)ccc2c1F
InChIInChI=1S/C29H25F/c1-3-5-26-17-18-27-20-23(12-19-28(27)29(26)30)7-6-22-10-15-25(16-11-22)24-13-8-21(4-2)9-14-24/h8-20H,3-5H2,1-2H3
InChIKeyHPSYMSXVDLMHPP-UHFFFAOYSA-N
MW392.52 g/mol
LogP7.56
Rot. Bonds4

About 6-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-1-fluoro-2-propylnaphthalene

6-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-1-fluoro-2-propylnaphthalene (PubChem CID 139876912) has the molecular formula C29H25F and a molecular weight of 392.52 g/mol. Its IUPAC name is 6-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-1-fluoro-2-propylnaphthalene.

Molecular Properties

Compound Name6-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-1-fluoro-2-propylnaphthalene
PubChem CID139876912
Molecular FormulaC29H25F
Molecular Weight392.52 g/mol
Exact Mass392.19
IUPAC Name6-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-1-fluoro-2-propylnaphthalene
SMILESCCCc1ccc2cc(C#Cc3ccc(-c4ccc(CC)cc4)cc3)ccc2c1F
InChIInChI=1S/C29H25F/c1-3-5-26-17-18-27-20-23(12-19-28(27)29(26)30)7-6-22-10-15-25(16-11-22)24-13-8-21(4-2)9-14-24/h8-20H,3-5H2,1-2H3
InChIKeyHPSYMSXVDLMHPP-UHFFFAOYSA-N
XLogP7.56
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 ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-1-fluoro-2-hexylnaphthalene
CID 139877289
1-fluoro-2-propyl-6-[2-[4-[2-(4-propylphenyl)ethynyl]phenyl]ethynyl]naphthalene
CID 139877196
2-but-3-enyl-6-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-1-fluoronaphthalene
CID 139875904
6-[2-(4-ethylphenyl)ethynyl]-1-fluoro-2-[2-(4-methylphenyl)ethyl]naphthalene
CID 139876364
6-[2-(4-ethylphenyl)ethynyl]-1-fluoro-2-heptylnaphthalene
CID 139876124
1-fluoro-6-[2-(4-hexylphenyl)ethynyl]-2-propylnaphthalene
CID 139875712
2-butyl-1-fluoro-6-[2-[4-(4-heptylphenyl)phenyl]ethynyl]naphthalene
CID 139876275
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
2-[2-(4-butylphenyl)ethyl]-1-fluoro-6-[2-(4-propylphenyl)ethynyl]naphthalene
CID 139877052
6-[2-(4-ethylphenyl)ethynyl]-1-fluoro-2-[2-(4-methylcyclohexyl)ethyl]naphthalene
CID 139875831
6-[2-[4-[2-(4-butylphenyl)ethyl]phenyl]ethynyl]-2-ethyl-1-fluoronaphthalene
CID 139876353

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-1-fluoro-2-propylnaphthalene?
The IUPAC name of 6-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-1-fluoro-2-propylnaphthalene (CID 139876912) is 6-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-1-fluoro-2-propylnaphthalene.
What is the SMILES notation for 6-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-1-fluoro-2-propylnaphthalene?
The canonical SMILES for 6-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-1-fluoro-2-propylnaphthalene is CCCc1ccc2cc(C#Cc3ccc(-c4ccc(CC)cc4)cc3)ccc2c1F.
What is the InChIKey of 6-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-1-fluoro-2-propylnaphthalene?
The InChIKey is HPSYMSXVDLMHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F/c1-3-5-26-17-18-27-20-23(12-19-28(27)29(26)30)7-6-22-10-15-25(16-11-22)24-13-8-21(4-2)9-14-24/h8-20H,3-5H2,1-2H3.
What are the key properties of 6-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-1-fluoro-2-propylnaphthalene?
6-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-1-fluoro-2-propylnaphthalene has a molecular weight of 392.52 g/mol, XLogP of 7.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-1-fluoro-2-propylnaphthalene is sourced from PubChem (CID 139876912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).