1,3-bis(2-fluorophenyl)-5-(3-methylphenyl)benzene

C25H18F2 — CID 134391839

IUPAC1,3-bis(2-fluorophenyl)-5-(3-methylphenyl)benzene
SMILESCc1cccc(-c2cc(-c3ccccc3F)cc(-c3ccccc3F)c2)c1
InChIInChI=1S/C25H18F2/c1-17-7-6-8-18(13-17)19-14-20(22-9-2-4-11-24(22)26)16-21(15-19)23-10-3-5-12-25(23)27/h2-16H,1H3
InChIKeyWRHGAXJKIANKTH-UHFFFAOYSA-N
MW356.42 g/mol
LogP7.27
Rot. Bonds3

About 1,3-bis(2-fluorophenyl)-5-(3-methylphenyl)benzene

1,3-bis(2-fluorophenyl)-5-(3-methylphenyl)benzene (PubChem CID 134391839) has the molecular formula C25H18F2 and a molecular weight of 356.42 g/mol. Its IUPAC name is 1,3-bis(2-fluorophenyl)-5-(3-methylphenyl)benzene.

Molecular Properties

Compound Name1,3-bis(2-fluorophenyl)-5-(3-methylphenyl)benzene
PubChem CID134391839
Molecular FormulaC25H18F2
Molecular Weight356.42 g/mol
Exact Mass356.14
IUPAC Name1,3-bis(2-fluorophenyl)-5-(3-methylphenyl)benzene
SMILESCc1cccc(-c2cc(-c3ccccc3F)cc(-c3ccccc3F)c2)c1
InChIInChI=1S/C25H18F2/c1-17-7-6-8-18(13-17)19-14-20(22-9-2-4-11-24(22)26)16-21(15-19)23-10-3-5-12-25(23)27/h2-16H,1H3
InChIKeyWRHGAXJKIANKTH-UHFFFAOYSA-N
XLogP7.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.42
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-fluorophenyl)-5-(3-methylphenyl)benzene?
The IUPAC name of 1,3-bis(2-fluorophenyl)-5-(3-methylphenyl)benzene (CID 134391839) is 1,3-bis(2-fluorophenyl)-5-(3-methylphenyl)benzene.
What is the SMILES notation for 1,3-bis(2-fluorophenyl)-5-(3-methylphenyl)benzene?
The canonical SMILES for 1,3-bis(2-fluorophenyl)-5-(3-methylphenyl)benzene is Cc1cccc(-c2cc(-c3ccccc3F)cc(-c3ccccc3F)c2)c1.
What is the InChIKey of 1,3-bis(2-fluorophenyl)-5-(3-methylphenyl)benzene?
The InChIKey is WRHGAXJKIANKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2/c1-17-7-6-8-18(13-17)19-14-20(22-9-2-4-11-24(22)26)16-21(15-19)23-10-3-5-12-25(23)27/h2-16H,1H3.
What are the key properties of 1,3-bis(2-fluorophenyl)-5-(3-methylphenyl)benzene?
1,3-bis(2-fluorophenyl)-5-(3-methylphenyl)benzene has a molecular weight of 356.42 g/mol, XLogP of 7.27, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-fluorophenyl)-5-(3-methylphenyl)benzene is sourced from PubChem (CID 134391839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).