5-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2-phenylthiophene

C23H16F2S — CID 122221805

IUPAC5-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2-phenylthiophene
SMILESFc1ccc(Cc2cc(-c3ccc(F)cc3)sc2-c2ccccc2)cc1
InChIInChI=1S/C23H16F2S/c24-20-10-6-16(7-11-20)14-19-15-22(17-8-12-21(25)13-9-17)26-23(19)18-4-2-1-3-5-18/h1-13,15H,14H2
InChIKeyQREZDBZBBUYYRL-UHFFFAOYSA-N
MW362.44 g/mol
LogP6.95
Rot. Bonds4

About 5-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2-phenylthiophene

5-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2-phenylthiophene (PubChem CID 122221805) has the molecular formula C23H16F2S and a molecular weight of 362.44 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2-phenylthiophene.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2-phenylthiophene
PubChem CID122221805
Molecular FormulaC23H16F2S
Molecular Weight362.44 g/mol
Exact Mass362.09
IUPAC Name5-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2-phenylthiophene
SMILESFc1ccc(Cc2cc(-c3ccc(F)cc3)sc2-c2ccccc2)cc1
InChIInChI=1S/C23H16F2S/c24-20-10-6-16(7-11-20)14-19-15-22(17-8-12-21(25)13-9-17)26-23(19)18-4-2-1-3-5-18/h1-13,15H,14H2
InChIKeyQREZDBZBBUYYRL-UHFFFAOYSA-N
XLogP6.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.44
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-Diphenylthiophene
CID 74050
Bbifsshxmkxrcb-uhfffaoysa-
CID 3562913
Tetraphenylthiophene
CID 74664
2,3-Diphenylthiophene
CID 2801736
2,5-Bis(4-fluorophenyl)thiophene
CID 5095810
2-(4-Fluorophenyl)thiophene
CID 21894783
2,5-Bis(4-(methylthio)phenyl)thiophene
CID 44408778
2,4-Diphenylthiophene
CID 520616
2,5-Bis(phenylethynyl)thiophene
CID 14454664
2-(4-Fluorophenyl)-3-(4-methylsulfanylphenyl)thiophene
CID 10590357
2-(4-Fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene
CID 45789954
2-[Bis(4-fluorophenyl)methylsulfinylmethyl]thiophene
CID 137632704

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2-phenylthiophene?
The IUPAC name of 5-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2-phenylthiophene (CID 122221805) is 5-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2-phenylthiophene.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2-phenylthiophene?
The canonical SMILES for 5-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2-phenylthiophene is Fc1ccc(Cc2cc(-c3ccc(F)cc3)sc2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2-phenylthiophene?
The InChIKey is QREZDBZBBUYYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2S/c24-20-10-6-16(7-11-20)14-19-15-22(17-8-12-21(25)13-9-17)26-23(19)18-4-2-1-3-5-18/h1-13,15H,14H2.
What are the key properties of 5-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2-phenylthiophene?
5-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2-phenylthiophene has a molecular weight of 362.44 g/mol, XLogP of 6.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2-phenylthiophene is sourced from PubChem (CID 122221805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).