1-(4-fluorophenyl)-5-[[2-(2-fluorophenyl)-5-methylphenyl]methyl]-2,4-dimethylbenzene

C28H24F2 — CID 130321667

IUPAC1-(4-fluorophenyl)-5-[[2-(2-fluorophenyl)-5-methylphenyl]methyl]-2,4-dimethylbenzene
SMILESCc1ccc(-c2ccccc2F)c(Cc2cc(-c3ccc(F)cc3)c(C)cc2C)c1
InChIInChI=1S/C28H24F2/c1-18-8-13-25(26-6-4-5-7-28(26)30)23(14-18)16-22-17-27(20(3)15-19(22)2)21-9-11-24(29)12-10-21/h4-15,17H,16H2,1-3H3
InChIKeyOWSSPQYFSFNGCW-UHFFFAOYSA-N
MW398.50 g/mol
LogP7.81
Rot. Bonds4

About 1-(4-fluorophenyl)-5-[[2-(2-fluorophenyl)-5-methylphenyl]methyl]-2,4-dimethylbenzene

1-(4-fluorophenyl)-5-[[2-(2-fluorophenyl)-5-methylphenyl]methyl]-2,4-dimethylbenzene (PubChem CID 130321667) has the molecular formula C28H24F2 and a molecular weight of 398.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[[2-(2-fluorophenyl)-5-methylphenyl]methyl]-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[[2-(2-fluorophenyl)-5-methylphenyl]methyl]-2,4-dimethylbenzene
PubChem CID130321667
Molecular FormulaC28H24F2
Molecular Weight398.50 g/mol
Exact Mass398.18
IUPAC Name1-(4-fluorophenyl)-5-[[2-(2-fluorophenyl)-5-methylphenyl]methyl]-2,4-dimethylbenzene
SMILESCc1ccc(-c2ccccc2F)c(Cc2cc(-c3ccc(F)cc3)c(C)cc2C)c1
InChIInChI=1S/C28H24F2/c1-18-8-13-25(26-6-4-5-7-28(26)30)23(14-18)16-22-17-27(20(3)15-19(22)2)21-9-11-24(29)12-10-21/h4-15,17H,16H2,1-3H3
InChIKeyOWSSPQYFSFNGCW-UHFFFAOYSA-N
XLogP7.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.50
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-2-[2-(4-methylphenyl)phenyl]benzene
CID 139250939
2-fluoro-1-(2-fluorophenyl)-4-methylbenzene
CID 46313956
1,2-bis[(2,5-dimethylphenyl)methyl]-3-phenylbenzene
CID 123640125
2-(2-fluorophenyl)-1,4-dimethylbenzene
CID 66641436
4-fluoro-2-(2-fluorophenyl)-1-methylbenzene
CID 46313938
1-fluoro-2-(4-fluorophenyl)-3-phenylbenzene
CID 57054132
4-chloro-1-(4-fluorophenyl)-2-methylbenzene
CID 46314507
1-fluoro-3-(4-fluorophenyl)-2-methylbenzene
CID 46313945
4-fluoro-1-methyl-2-phenylbenzene
CID 21350138
1,4-bis(2-fluorophenyl)benzene
CID 58121760
2-(2-fluorophenyl)-4-methylaniline
CID 62492091
1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene
CID 160676393

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-[[2-(2-fluorophenyl)-5-methylphenyl]methyl]-2,4-dimethylbenzene?
The IUPAC name of 1-(4-fluorophenyl)-5-[[2-(2-fluorophenyl)-5-methylphenyl]methyl]-2,4-dimethylbenzene (CID 130321667) is 1-(4-fluorophenyl)-5-[[2-(2-fluorophenyl)-5-methylphenyl]methyl]-2,4-dimethylbenzene.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[[2-(2-fluorophenyl)-5-methylphenyl]methyl]-2,4-dimethylbenzene?
The canonical SMILES for 1-(4-fluorophenyl)-5-[[2-(2-fluorophenyl)-5-methylphenyl]methyl]-2,4-dimethylbenzene is Cc1ccc(-c2ccccc2F)c(Cc2cc(-c3ccc(F)cc3)c(C)cc2C)c1.
What is the InChIKey of 1-(4-fluorophenyl)-5-[[2-(2-fluorophenyl)-5-methylphenyl]methyl]-2,4-dimethylbenzene?
The InChIKey is OWSSPQYFSFNGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F2/c1-18-8-13-25(26-6-4-5-7-28(26)30)23(14-18)16-22-17-27(20(3)15-19(22)2)21-9-11-24(29)12-10-21/h4-15,17H,16H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-5-[[2-(2-fluorophenyl)-5-methylphenyl]methyl]-2,4-dimethylbenzene?
1-(4-fluorophenyl)-5-[[2-(2-fluorophenyl)-5-methylphenyl]methyl]-2,4-dimethylbenzene has a molecular weight of 398.50 g/mol, XLogP of 7.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-[[2-(2-fluorophenyl)-5-methylphenyl]methyl]-2,4-dimethylbenzene is sourced from PubChem (CID 130321667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).