1,3-difluoro-5-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]-2-methylbenzene;1,3-difluoro-2-methyl-5-[2-[4-(4-methylphenyl)phenyl]ethenyl]benzene;1,3-difluoro-2-methyl-5-[2-[4-(4-methylphenyl)phenyl]ethynyl]benzene;2-fluoro-4-methyl-1-[4-[2-(4-methylphenyl)ethynyl]phenyl]benzene

C88H66F8 — CID 159569443

IUPAC1,3-difluoro-5-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]-2-methylbenzene;1,3-difluoro-2-methyl-5-[2-[4-(4-methylphenyl)phenyl]ethenyl]benzene;1,3-difluoro-2-methyl-5-[2-[4-(4-methylphenyl)phenyl]ethynyl]benzene;2-fluoro-4-methyl-1-[4-[2-(4-methylphenyl)ethynyl]phenyl]benzene
SMILESCc1ccc(-c2ccc(C#Cc3cc(F)c(C)c(F)c3)c(F)c2)cc1.Cc1ccc(-c2ccc(C#Cc3cc(F)c(C)c(F)c3)cc2)cc1.Cc1ccc(-c2ccc(C=Cc3cc(F)c(C)c(F)c3)cc2)cc1.Cc1ccc(C#Cc2ccc(-c3ccc(C)cc3F)cc2)cc1
InChIInChI=1S/C22H15F3.C22H18F2.C22H16F2.C22H17F/c1-14-3-6-17(7-4-14)19-10-9-18(22(25)13-19)8-5-16-11-20(23)15(2)21(24)12-16;2*1-15-3-9-19(10-4-15)20-11-7-17(8-12-20)5-6-18-13-21(23)16(2)22(24)14-18;1-16-3-6-18(7-4-16)8-9-19-10-12-20(13-11-19)21-14-5-17(2)15-22(21)23/h3-4,6-7,9-13H,1-2H3;3-14H,1-2H3;3-4,7-14H,1-2H3;3-7,10-15H,1-2H3
InChIKeyMHPYTBZQKGGNFM-UHFFFAOYSA-N
MW1275.48 g/mol
LogP23.36
Rot. Bonds6

About 1,3-difluoro-5-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]-2-methylbenzene;1,3-difluoro-2-methyl-5-[2-[4-(4-methylphenyl)phenyl]ethenyl]benzene;1,3-difluoro-2-methyl-5-[2-[4-(4-methylphenyl)phenyl]ethynyl]benzene;2-fluoro-4-methyl-1-[4-[2-(4-methylphenyl)ethynyl]phenyl]benzene

1,3-difluoro-5-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]-2-methylbenzene;1,3-difluoro-2-methyl-5-[2-[4-(4-methylphenyl)phenyl]ethenyl]benzene;1,3-difluoro-2-methyl-5-[2-[4-(4-methylphenyl)phenyl]ethynyl]benzene;2-fluoro-4-methyl-1-[4-[2-(4-methylphenyl)ethynyl]phenyl]benzene (PubChem CID 159569443) has the molecular formula C88H66F8 and a molecular weight of 1275.48 g/mol. Its IUPAC name is 1,3-difluoro-5-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]-2-methylbenzene;1,3-difluoro-2-methyl-5-[2-[4-(4-methylphenyl)phenyl]ethenyl]benzene;1,3-difluoro-2-methyl-5-[2-[4-(4-methylphenyl)phenyl]ethynyl]benzene;2-fluoro-4-methyl-1-[4-[2-(4-methylphenyl)ethynyl]phenyl]benzene.

Molecular Properties

Compound Name1,3-difluoro-5-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]-2-methylbenzene;1,3-difluoro-2-methyl-5-[2-[4-(4-methylphenyl)phenyl]ethenyl]benzene;1,3-difluoro-2-methyl-5-[2-[4-(4-methylphenyl)phenyl]ethynyl]benzene;2-fluoro-4-methyl-1-[4-[2-(4-methylphenyl)ethynyl]phenyl]benzene
PubChem CID159569443
Molecular FormulaC88H66F8
Molecular Weight1275.48 g/mol
Exact Mass1274.50
IUPAC Name1,3-difluoro-5-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]-2-methylbenzene;1,3-difluoro-2-methyl-5-[2-[4-(4-methylphenyl)phenyl]ethenyl]benzene;1,3-difluoro-2-methyl-5-[2-[4-(4-methylphenyl)phenyl]ethynyl]benzene;2-fluoro-4-methyl-1-[4-[2-(4-methylphenyl)ethynyl]phenyl]benzene
SMILESCc1ccc(-c2ccc(C#Cc3cc(F)c(C)c(F)c3)c(F)c2)cc1.Cc1ccc(-c2ccc(C#Cc3cc(F)c(C)c(F)c3)cc2)cc1.Cc1ccc(-c2ccc(C=Cc3cc(F)c(C)c(F)c3)cc2)cc1.Cc1ccc(C#Cc2ccc(-c3ccc(C)cc3F)cc2)cc1
InChIInChI=1S/C22H15F3.C22H18F2.C22H16F2.C22H17F/c1-14-3-6-17(7-4-14)19-10-9-18(22(25)13-19)8-5-16-11-20(23)15(2)21(24)12-16;2*1-15-3-9-19(10-4-15)20-11-7-17(8-12-20)5-6-18-13-21(23)16(2)22(24)14-18;1-16-3-6-18(7-4-16)8-9-19-10-12-20(13-11-19)21-14-5-17(2)15-22(21)23/h3-4,6-7,9-13H,1-2H3;3-14H,1-2H3;3-4,7-14H,1-2H3;3-7,10-15H,1-2H3
InChIKeyMHPYTBZQKGGNFM-UHFFFAOYSA-N
XLogP23.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001275.48
LogP ≤ 523.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,3-difluoro-5-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]-2-methylbenzene;1,3-difluoro-2-methyl-5-[2-[4-(4-methylphenyl)phenyl]ethenyl]benzene;1,3-difluoro-2-methyl-5-[2-[4-(4-methylphenyl)phenyl]ethynyl]benzene;2-fluoro-4-methyl-1-[4-[2-(4-methylphenyl)ethynyl]phenyl]benzene with MolForge

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Related Compounds

1,2,3-trifluoro-5-[2-[4-(2-fluoro-4-methylphenyl)phenyl]ethynyl]benzene
CID 22886253
methane;1,2,3-trifluoro-5-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]benzene
CID 157198263
2-fluoro-1-[4-[2-(3-fluoro-4-methylphenyl)ethynyl]phenyl]-4-methylbenzene
CID 20683303
1-[2-[4-(4-chlorophenyl)phenyl]ethynyl]-2-fluoro-4-methylbenzene;1,3-difluoro-5-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]-2-isothiocyanatobenzene;1,3-difluoro-2-isothiocyanato-5-[2-[4-(4-methylphenyl)phenyl]ethynyl]benzene;2-fluoro-1-[2-[4-(4-fluorophenyl)phenyl]ethynyl]-4-methylbenzene;2-fluoro-4-methyl-1-[4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]phenyl]benzene
CID 158888323
1-[2-(4-bromophenyl)ethynyl]-2-fluoro-4-methylbenzene
CID 22922848
1-[2-(3,5-difluoro-4-methylphenyl)ethynyl]-2,5-dimethyl-4-[2-(4-methylphenyl)ethynyl]benzene
CID 21359640
1-[2-(2-fluoro-4-methylphenyl)ethynyl]-2,5-dimethyl-4-[2-(4-methylphenyl)ethynyl]benzene
CID 21359625
5-[2-(2-fluoro-4-methylphenyl)ethynyl]-1,3-dimethyl-2-[2-(4-methylphenyl)ethynyl]benzene
CID 21360172
2,3-difluoro-1-[4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]-4-methoxybenzene
CID 70820083
1,2-difluoro-6-[2-fluoro-4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]naphthalene
CID 139846851
5-[2-(2-fluoro-4-methylphenyl)ethynyl]-1,2,3-trimethylbenzene
CID 20683361
1-[2-[4-[2-(2,4-dimethylphenyl)ethynyl]phenyl]ethynyl]-2-fluoro-4-methylbenzene
CID 21359661

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]-2-methylbenzene;1,3-difluoro-2-methyl-5-[2-[4-(4-methylphenyl)phenyl]ethenyl]benzene;1,3-difluoro-2-methyl-5-[2-[4-(4-methylphenyl)phenyl]ethynyl]benzene;2-fluoro-4-methyl-1-[4-[2-(4-methylphenyl)ethynyl]phenyl]benzene?
The IUPAC name of 1,3-difluoro-5-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]-2-methylbenzene;1,3-difluoro-2-methyl-5-[2-[4-(4-methylphenyl)phenyl]ethenyl]benzene;1,3-difluoro-2-methyl-5-[2-[4-(4-methylphenyl)phenyl]ethynyl]benzene;2-fluoro-4-methyl-1-[4-[2-(4-methylphenyl)ethynyl]phenyl]benzene (CID 159569443) is 1,3-difluoro-5-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]-2-methylbenzene;1,3-difluoro-2-methyl-5-[2-[4-(4-methylphenyl)phenyl]ethenyl]benzene;1,3-difluoro-2-methyl-5-[2-[4-(4-methylphenyl)phenyl]ethynyl]benzene;2-fluoro-4-methyl-1-[4-[2-(4-methylphenyl)ethynyl]phenyl]benzene.
What is the SMILES notation for 1,3-difluoro-5-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]-2-methylbenzene;1,3-difluoro-2-methyl-5-[2-[4-(4-methylphenyl)phenyl]ethenyl]benzene;1,3-difluoro-2-methyl-5-[2-[4-(4-methylphenyl)phenyl]ethynyl]benzene;2-fluoro-4-methyl-1-[4-[2-(4-methylphenyl)ethynyl]phenyl]benzene?
The canonical SMILES for 1,3-difluoro-5-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]-2-methylbenzene;1,3-difluoro-2-methyl-5-[2-[4-(4-methylphenyl)phenyl]ethenyl]benzene;1,3-difluoro-2-methyl-5-[2-[4-(4-methylphenyl)phenyl]ethynyl]benzene;2-fluoro-4-methyl-1-[4-[2-(4-methylphenyl)ethynyl]phenyl]benzene is Cc1ccc(-c2ccc(C#Cc3cc(F)c(C)c(F)c3)c(F)c2)cc1.Cc1ccc(-c2ccc(C#Cc3cc(F)c(C)c(F)c3)cc2)cc1.Cc1ccc(-c2ccc(C=Cc3cc(F)c(C)c(F)c3)cc2)cc1.Cc1ccc(C#Cc2ccc(-c3ccc(C)cc3F)cc2)cc1.
What is the InChIKey of 1,3-difluoro-5-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]-2-methylbenzene;1,3-difluoro-2-methyl-5-[2-[4-(4-methylphenyl)phenyl]ethenyl]benzene;1,3-difluoro-2-methyl-5-[2-[4-(4-methylphenyl)phenyl]ethynyl]benzene;2-fluoro-4-methyl-1-[4-[2-(4-methylphenyl)ethynyl]phenyl]benzene?
The InChIKey is MHPYTBZQKGGNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3.C22H18F2.C22H16F2.C22H17F/c1-14-3-6-17(7-4-14)19-10-9-18(22(25)13-19)8-5-16-11-20(23)15(2)21(24)12-16;2*1-15-3-9-19(10-4-15)20-11-7-17(8-12-20)5-6-18-13-21(23)16(2)22(24)14-18;1-16-3-6-18(7-4-16)8-9-19-10-12-20(13-11-19)21-14-5-17(2)15-22(21)23/h3-4,6-7,9-13H,1-2H3;3-14H,1-2H3;3-4,7-14H,1-2H3;3-7,10-15H,1-2H3.
What are the key properties of 1,3-difluoro-5-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]-2-methylbenzene;1,3-difluoro-2-methyl-5-[2-[4-(4-methylphenyl)phenyl]ethenyl]benzene;1,3-difluoro-2-methyl-5-[2-[4-(4-methylphenyl)phenyl]ethynyl]benzene;2-fluoro-4-methyl-1-[4-[2-(4-methylphenyl)ethynyl]phenyl]benzene?
1,3-difluoro-5-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]-2-methylbenzene;1,3-difluoro-2-methyl-5-[2-[4-(4-methylphenyl)phenyl]ethenyl]benzene;1,3-difluoro-2-methyl-5-[2-[4-(4-methylphenyl)phenyl]ethynyl]benzene;2-fluoro-4-methyl-1-[4-[2-(4-methylphenyl)ethynyl]phenyl]benzene has a molecular weight of 1275.48 g/mol, XLogP of 23.36, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]-2-methylbenzene;1,3-difluoro-2-methyl-5-[2-[4-(4-methylphenyl)phenyl]ethenyl]benzene;1,3-difluoro-2-methyl-5-[2-[4-(4-methylphenyl)phenyl]ethynyl]benzene;2-fluoro-4-methyl-1-[4-[2-(4-methylphenyl)ethynyl]phenyl]benzene is sourced from PubChem (CID 159569443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).