2,4-bis(3-fluorophenyl)-1-phenylpyrrole

C22H15F2N — CID 177457311

IUPAC2,4-bis(3-fluorophenyl)-1-phenylpyrrole
SMILESFc1cccc(-c2cc(-c3cccc(F)c3)n(-c3ccccc3)c2)c1
InChIInChI=1S/C22H15F2N/c23-19-8-4-6-16(12-19)18-14-22(17-7-5-9-20(24)13-17)25(15-18)21-10-2-1-3-11-21/h1-15H
InChIKeyDKDJIBPLJJJYCO-UHFFFAOYSA-N
MW331.37 g/mol
LogP6.09
Rot. Bonds3

About 2,4-bis(3-fluorophenyl)-1-phenylpyrrole

2,4-bis(3-fluorophenyl)-1-phenylpyrrole (PubChem CID 177457311) has the molecular formula C22H15F2N and a molecular weight of 331.37 g/mol. Its IUPAC name is 2,4-bis(3-fluorophenyl)-1-phenylpyrrole.

Molecular Properties

Compound Name2,4-bis(3-fluorophenyl)-1-phenylpyrrole
PubChem CID177457311
Molecular FormulaC22H15F2N
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name2,4-bis(3-fluorophenyl)-1-phenylpyrrole
SMILESFc1cccc(-c2cc(-c3cccc(F)c3)n(-c3ccccc3)c2)c1
InChIInChI=1S/C22H15F2N/c23-19-8-4-6-16(12-19)18-14-22(17-7-5-9-20(24)13-17)25(15-18)21-10-2-1-3-11-21/h1-15H
InChIKeyDKDJIBPLJJJYCO-UHFFFAOYSA-N
XLogP6.09
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.37
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-fluoro-3-(3-fluorophenyl)-5-methylbenzene
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tris[4-(3-fluorophenyl)phenyl]-(4-phenylphenyl)silane
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tris[4-(3-fluorophenyl)phenyl]-phenylsilane
CID 176748674
1-fluoro-3-[4-[[4-(3-fluorophenyl)phenyl]-diphenylmethyl]phenyl]benzene
CID 176748618
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylisoquinolin-1-one
CID 53034197
5,12-bis[4-(3-fluorophenyl)phenyl]-6,11-diphenyltetracene
CID 58846897
3-(3-fluorophenyl)furan
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3-(3-fluorophenyl)-1-phenylimidazolidine-2,4-dione
CID 61030217
2-amino-3-ethyl-6-(3-fluorophenyl)-5-(6-oxo-1-phenyl-3-pyridinyl)pyrimidin-4-one
CID 23020503

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3-fluorophenyl)-1-phenylpyrrole?
The IUPAC name of 2,4-bis(3-fluorophenyl)-1-phenylpyrrole (CID 177457311) is 2,4-bis(3-fluorophenyl)-1-phenylpyrrole.
What is the SMILES notation for 2,4-bis(3-fluorophenyl)-1-phenylpyrrole?
The canonical SMILES for 2,4-bis(3-fluorophenyl)-1-phenylpyrrole is Fc1cccc(-c2cc(-c3cccc(F)c3)n(-c3ccccc3)c2)c1.
What is the InChIKey of 2,4-bis(3-fluorophenyl)-1-phenylpyrrole?
The InChIKey is DKDJIBPLJJJYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N/c23-19-8-4-6-16(12-19)18-14-22(17-7-5-9-20(24)13-17)25(15-18)21-10-2-1-3-11-21/h1-15H.
What are the key properties of 2,4-bis(3-fluorophenyl)-1-phenylpyrrole?
2,4-bis(3-fluorophenyl)-1-phenylpyrrole has a molecular weight of 331.37 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3-fluorophenyl)-1-phenylpyrrole is sourced from PubChem (CID 177457311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).