7-[2-[3-(4-fluorophenyl)phenyl]ethynyl]-1-methylnaphthalene

C25H17F — CID 57075379

IUPAC7-[2-[3-(4-fluorophenyl)phenyl]ethynyl]-1-methylnaphthalene
SMILESCc1cccc2ccc(C#Cc3cccc(-c4ccc(F)cc4)c3)cc12
InChIInChI=1S/C25H17F/c1-18-4-2-6-22-11-10-20(17-25(18)22)9-8-19-5-3-7-23(16-19)21-12-14-24(26)15-13-21/h2-7,10-17H,1H3
InChIKeyOGLOGTYYRFFAPW-UHFFFAOYSA-N
MW336.41 g/mol
LogP6.35
Rot. Bonds1

About 7-[2-[3-(4-fluorophenyl)phenyl]ethynyl]-1-methylnaphthalene

7-[2-[3-(4-fluorophenyl)phenyl]ethynyl]-1-methylnaphthalene (PubChem CID 57075379) has the molecular formula C25H17F and a molecular weight of 336.41 g/mol. Its IUPAC name is 7-[2-[3-(4-fluorophenyl)phenyl]ethynyl]-1-methylnaphthalene.

Molecular Properties

Compound Name7-[2-[3-(4-fluorophenyl)phenyl]ethynyl]-1-methylnaphthalene
PubChem CID57075379
Molecular FormulaC25H17F
Molecular Weight336.41 g/mol
Exact Mass336.13
IUPAC Name7-[2-[3-(4-fluorophenyl)phenyl]ethynyl]-1-methylnaphthalene
SMILESCc1cccc2ccc(C#Cc3cccc(-c4ccc(F)cc4)c3)cc12
InChIInChI=1S/C25H17F/c1-18-4-2-6-22-11-10-20(17-25(18)22)9-8-19-5-3-7-23(16-19)21-12-14-24(26)15-13-21/h2-7,10-17H,1H3
InChIKeyOGLOGTYYRFFAPW-UHFFFAOYSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.41
LogP ≤ 56.35
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

7-(3,3-dimethylbut-1-ynyl)-1-methylnaphthalene
CID 56993968
1-phenyl-3-[2-(4-phenylphenyl)ethynyl]benzene
CID 59475328
1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;5-methylbenzene-1,3-dicarbonitrile;3-methylbenzonitrile;4-methylbenzonitrile;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;3-methylphenanthrene;9-methylphenanthrene;5-(4-methylphenyl)benzene-1,3-dicarbonitrile;3-(4-methylphenyl)benzonitrile;4-(4-methylphenyl)benzonitrile;toluene
CID 159909029
1-fluoro-4-[3-(4-methylphenyl)phenyl]benzene
CID 23629230
1,2-dimethyl-4-[2-(4-phenylphenyl)ethynyl]benzene
CID 143505044
anthracene;tris(1,1'-biphenyl);ethane;1-methylnaphthalene;phenanthrene;toluene
CID 161034460
2-(8-methylnaphthalen-2-yl)-4,5-diphenyl-1H-imidazole
CID 139797871
2-(4-butylphenyl)-6-[2-(2-fluoro-6-methyl-4-naphthalen-2-ylphenyl)ethynyl]naphthalene
CID 134377988
2-fluoro-6-[2-[4-(4-propylphenyl)phenyl]ethynyl]naphthalene
CID 139858897
1-fluoro-4-[2-[3-[(4-fluorophenyl)methyl]phenyl]ethynyl]benzene
CID 142261528
9-naphthalen-1-yl-10-[2-(3-phenylphenyl)ethynyl]anthracene
CID 58730017
2-[2-[4-(2,6-difluoro-4-methylphenyl)-2,6-difluorophenyl]ethynyl]-6-fluoronaphthalene
CID 139859144

Frequently Asked Questions

What is the IUPAC name of 7-[2-[3-(4-fluorophenyl)phenyl]ethynyl]-1-methylnaphthalene?
The IUPAC name of 7-[2-[3-(4-fluorophenyl)phenyl]ethynyl]-1-methylnaphthalene (CID 57075379) is 7-[2-[3-(4-fluorophenyl)phenyl]ethynyl]-1-methylnaphthalene.
What is the SMILES notation for 7-[2-[3-(4-fluorophenyl)phenyl]ethynyl]-1-methylnaphthalene?
The canonical SMILES for 7-[2-[3-(4-fluorophenyl)phenyl]ethynyl]-1-methylnaphthalene is Cc1cccc2ccc(C#Cc3cccc(-c4ccc(F)cc4)c3)cc12.
What is the InChIKey of 7-[2-[3-(4-fluorophenyl)phenyl]ethynyl]-1-methylnaphthalene?
The InChIKey is OGLOGTYYRFFAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F/c1-18-4-2-6-22-11-10-20(17-25(18)22)9-8-19-5-3-7-23(16-19)21-12-14-24(26)15-13-21/h2-7,10-17H,1H3.
What are the key properties of 7-[2-[3-(4-fluorophenyl)phenyl]ethynyl]-1-methylnaphthalene?
7-[2-[3-(4-fluorophenyl)phenyl]ethynyl]-1-methylnaphthalene has a molecular weight of 336.41 g/mol, XLogP of 6.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[3-(4-fluorophenyl)phenyl]ethynyl]-1-methylnaphthalene is sourced from PubChem (CID 57075379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).