2-fluoro-4-[3-[[5-(3-fluorophenyl)-2-methylphenyl]methyl]-4-methylphenyl]-1-methylbenzene

C28H24F2 — CID 174288764

IUPAC2-fluoro-4-[3-[[5-(3-fluorophenyl)-2-methylphenyl]methyl]-4-methylphenyl]-1-methylbenzene
SMILESCc1ccc(-c2ccc(C)c(Cc3cc(-c4cccc(F)c4)ccc3C)c2)cc1F
InChIInChI=1S/C28H24F2/c1-18-7-10-22(21-5-4-6-27(29)16-21)13-25(18)15-26-14-23(11-8-19(26)2)24-12-9-20(3)28(30)17-24/h4-14,16-17H,15H2,1-3H3
InChIKeyDRFKYBLLMBFPAW-UHFFFAOYSA-N
MW398.50 g/mol
LogP7.81
Rot. Bonds4

About 2-fluoro-4-[3-[[5-(3-fluorophenyl)-2-methylphenyl]methyl]-4-methylphenyl]-1-methylbenzene

2-fluoro-4-[3-[[5-(3-fluorophenyl)-2-methylphenyl]methyl]-4-methylphenyl]-1-methylbenzene (PubChem CID 174288764) has the molecular formula C28H24F2 and a molecular weight of 398.50 g/mol. Its IUPAC name is 2-fluoro-4-[3-[[5-(3-fluorophenyl)-2-methylphenyl]methyl]-4-methylphenyl]-1-methylbenzene.

Molecular Properties

Compound Name2-fluoro-4-[3-[[5-(3-fluorophenyl)-2-methylphenyl]methyl]-4-methylphenyl]-1-methylbenzene
PubChem CID174288764
Molecular FormulaC28H24F2
Molecular Weight398.50 g/mol
Exact Mass398.18
IUPAC Name2-fluoro-4-[3-[[5-(3-fluorophenyl)-2-methylphenyl]methyl]-4-methylphenyl]-1-methylbenzene
SMILESCc1ccc(-c2ccc(C)c(Cc3cc(-c4cccc(F)c4)ccc3C)c2)cc1F
InChIInChI=1S/C28H24F2/c1-18-7-10-22(21-5-4-6-27(29)16-21)13-25(18)15-26-14-23(11-8-19(26)2)24-12-9-20(3)28(30)17-24/h4-14,16-17H,15H2,1-3H3
InChIKeyDRFKYBLLMBFPAW-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

2-(3-fluoro-4-methylphenyl)-5-(3-fluorophenyl)-1,3,4-thiadiazole
CID 158199736
2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 22899602
N-[[2-fluoro-4-(3-fluorophenyl)phenyl]methyl]propan-1-amine
CID 54911581
2,4-difluoro-1-methylbenzene;hydrobromide
CID 174767043
2-fluoro-1,4-bis(3-fluorophenyl)benzene
CID 58392571
[2-fluoro-4-(3-fluorophenyl)phenyl]borane
CID 88897017
2-(2-methyl-5-phenylphenyl)ethanamine
CID 115027519
N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]ethanamine
CID 113324415
2-fluoro-1-methyl-4-(3-nitrophenyl)benzene
CID 70699657
1-fluoro-3-(3-fluorophenyl)-5-methylbenzene
CID 46313952
N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
CID 115502487
4-fluoro-3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]-2,5-dimethylphenol
CID 89445129

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[3-[[5-(3-fluorophenyl)-2-methylphenyl]methyl]-4-methylphenyl]-1-methylbenzene?
The IUPAC name of 2-fluoro-4-[3-[[5-(3-fluorophenyl)-2-methylphenyl]methyl]-4-methylphenyl]-1-methylbenzene (CID 174288764) is 2-fluoro-4-[3-[[5-(3-fluorophenyl)-2-methylphenyl]methyl]-4-methylphenyl]-1-methylbenzene.
What is the SMILES notation for 2-fluoro-4-[3-[[5-(3-fluorophenyl)-2-methylphenyl]methyl]-4-methylphenyl]-1-methylbenzene?
The canonical SMILES for 2-fluoro-4-[3-[[5-(3-fluorophenyl)-2-methylphenyl]methyl]-4-methylphenyl]-1-methylbenzene is Cc1ccc(-c2ccc(C)c(Cc3cc(-c4cccc(F)c4)ccc3C)c2)cc1F.
What is the InChIKey of 2-fluoro-4-[3-[[5-(3-fluorophenyl)-2-methylphenyl]methyl]-4-methylphenyl]-1-methylbenzene?
The InChIKey is DRFKYBLLMBFPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F2/c1-18-7-10-22(21-5-4-6-27(29)16-21)13-25(18)15-26-14-23(11-8-19(26)2)24-12-9-20(3)28(30)17-24/h4-14,16-17H,15H2,1-3H3.
What are the key properties of 2-fluoro-4-[3-[[5-(3-fluorophenyl)-2-methylphenyl]methyl]-4-methylphenyl]-1-methylbenzene?
2-fluoro-4-[3-[[5-(3-fluorophenyl)-2-methylphenyl]methyl]-4-methylphenyl]-1-methylbenzene 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 2-fluoro-4-[3-[[5-(3-fluorophenyl)-2-methylphenyl]methyl]-4-methylphenyl]-1-methylbenzene is sourced from PubChem (CID 174288764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).