2-[4-[3-fluoro-5-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]phenyl]-6-methylnaphthalene

C33H25F — CID 134376165

IUPAC2-[4-[3-fluoro-5-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]phenyl]-6-methylnaphthalene
SMILESCc1ccc(C#Cc2c(C)cc(-c3ccc(-c4ccc5cc(C)ccc5c4)cc3)cc2F)cc1
InChIInChI=1S/C33H25F/c1-22-4-7-25(8-5-22)9-17-32-24(3)19-31(21-33(32)34)27-13-11-26(12-14-27)29-16-15-28-18-23(2)6-10-30(28)20-29/h4-8,10-16,18-21H,1-3H3
InChIKeyTZBSBTHYJHRAPP-UHFFFAOYSA-N
MW440.56 g/mol
LogP8.64
Rot. Bonds2

About 2-[4-[3-fluoro-5-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]phenyl]-6-methylnaphthalene

2-[4-[3-fluoro-5-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]phenyl]-6-methylnaphthalene (PubChem CID 134376165) has the molecular formula C33H25F and a molecular weight of 440.56 g/mol. Its IUPAC name is 2-[4-[3-fluoro-5-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]phenyl]-6-methylnaphthalene.

Molecular Properties

Compound Name2-[4-[3-fluoro-5-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]phenyl]-6-methylnaphthalene
PubChem CID134376165
Molecular FormulaC33H25F
Molecular Weight440.56 g/mol
Exact Mass440.19
IUPAC Name2-[4-[3-fluoro-5-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]phenyl]-6-methylnaphthalene
SMILESCc1ccc(C#Cc2c(C)cc(-c3ccc(-c4ccc5cc(C)ccc5c4)cc3)cc2F)cc1
InChIInChI=1S/C33H25F/c1-22-4-7-25(8-5-22)9-17-32-24(3)19-31(21-33(32)34)27-13-11-26(12-14-27)29-16-15-28-18-23(2)6-10-30(28)20-29/h4-8,10-16,18-21H,1-3H3
InChIKeyTZBSBTHYJHRAPP-UHFFFAOYSA-N
XLogP8.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.56
LogP ≤ 58.64
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

2-[4-[4-[2-[4-(4-butyl-2-fluorophenyl)phenyl]ethynyl]-3-fluoro-5-methylphenyl]phenyl]-6-methylnaphthalene
CID 134376175
2-[3-fluoro-5-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]-6-(2-fluoro-4-propoxyphenyl)naphthalene
CID 134376480
1-fluoro-2-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]-3-methyl-5-(4-methylphenyl)benzene
CID 134376452
2-[4-[2-[5-fluoro-2-methyl-4-(4-methylphenyl)phenyl]ethynyl]phenyl]-6-methylnaphthalene
CID 134376154
2-fluoro-1-methyl-4-[4-[2-(4-methylphenyl)ethynyl]phenyl]benzene
CID 20683308
1,2,3-trifluoro-5-[2-fluoro-4-[2-fluoro-4-[2-[2-fluoro-6-methyl-4-(4-methylphenyl)phenyl]ethynyl]phenyl]phenyl]benzene
CID 134376185
2-(4-butylphenyl)-6-[2-(2-fluoro-6-methyl-4-naphthalen-2-ylphenyl)ethynyl]naphthalene
CID 134377988
2-[3-fluoro-4-[4-[3-fluoro-5-methyl-4-[2-(4-propoxyphenyl)ethynyl]phenyl]phenyl]phenyl]-6-propylnaphthalene
CID 134371381
2-[4-[4-[2-[4-(4-butyl-2-fluorophenyl)phenyl]ethynyl]-3-fluoro-5-methylphenyl]phenyl]naphthalene
CID 134377861
5-(4-butylsulfanylphenyl)-1-fluoro-3-methyl-2-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethynyl]benzene
CID 134376027
1-fluoro-2-[2-[3-fluoro-4-[4-(2-fluoro-4-methylphenyl)phenyl]phenyl]ethynyl]-3-methyl-5-(4-propylphenyl)benzene
CID 134378005
2-[2-[2,6-difluoro-4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]-6-fluoronaphthalene
CID 139858937

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-fluoro-5-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]phenyl]-6-methylnaphthalene?
The IUPAC name of 2-[4-[3-fluoro-5-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]phenyl]-6-methylnaphthalene (CID 134376165) is 2-[4-[3-fluoro-5-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]phenyl]-6-methylnaphthalene.
What is the SMILES notation for 2-[4-[3-fluoro-5-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]phenyl]-6-methylnaphthalene?
The canonical SMILES for 2-[4-[3-fluoro-5-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]phenyl]-6-methylnaphthalene is Cc1ccc(C#Cc2c(C)cc(-c3ccc(-c4ccc5cc(C)ccc5c4)cc3)cc2F)cc1.
What is the InChIKey of 2-[4-[3-fluoro-5-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]phenyl]-6-methylnaphthalene?
The InChIKey is TZBSBTHYJHRAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25F/c1-22-4-7-25(8-5-22)9-17-32-24(3)19-31(21-33(32)34)27-13-11-26(12-14-27)29-16-15-28-18-23(2)6-10-30(28)20-29/h4-8,10-16,18-21H,1-3H3.
What are the key properties of 2-[4-[3-fluoro-5-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]phenyl]-6-methylnaphthalene?
2-[4-[3-fluoro-5-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]phenyl]-6-methylnaphthalene has a molecular weight of 440.56 g/mol, XLogP of 8.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-fluoro-5-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]phenyl]-6-methylnaphthalene is sourced from PubChem (CID 134376165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).