4,5-bis(4-fluorophenyl)-1,3-diphenylimidazol-1-ium

C27H19F2N2+ — CID 25068459

IUPAC4,5-bis(4-fluorophenyl)-1,3-diphenylimidazol-1-ium
SMILESFc1ccc(-c2c(-c3ccc(F)cc3)[n+](-c3ccccc3)cn2-c2ccccc2)cc1
InChIInChI=1S/C27H19F2N2/c28-22-15-11-20(12-16-22)26-27(21-13-17-23(29)18-14-21)31(25-9-5-2-6-10-25)19-30(26)24-7-3-1-4-8-24/h1-19H/q+1
InChIKeySTQXYUAYGCTIRK-UHFFFAOYSA-N
MW409.46 g/mol
LogP6.37
Rot. Bonds4

About 4,5-bis(4-fluorophenyl)-1,3-diphenylimidazol-1-ium

4,5-bis(4-fluorophenyl)-1,3-diphenylimidazol-1-ium (PubChem CID 25068459) has the molecular formula C27H19F2N2+ and a molecular weight of 409.46 g/mol. Its IUPAC name is 4,5-bis(4-fluorophenyl)-1,3-diphenylimidazol-1-ium.

Molecular Properties

Compound Name4,5-bis(4-fluorophenyl)-1,3-diphenylimidazol-1-ium
PubChem CID25068459
Molecular FormulaC27H19F2N2+
Molecular Weight409.46 g/mol
Exact Mass409.15
IUPAC Name4,5-bis(4-fluorophenyl)-1,3-diphenylimidazol-1-ium
SMILESFc1ccc(-c2c(-c3ccc(F)cc3)[n+](-c3ccccc3)cn2-c2ccccc2)cc1
InChIInChI=1S/C27H19F2N2/c28-22-15-11-20(12-16-22)26-27(21-13-17-23(29)18-14-21)31(25-9-5-2-6-10-25)19-30(26)24-7-3-1-4-8-24/h1-19H/q+1
InChIKeySTQXYUAYGCTIRK-UHFFFAOYSA-N
XLogP6.37
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.46
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-4-hydroxy-1-phenylpyrrole-3-carbonitrile
CID 141190979
1-benzyl-3-ethyl-4,5-bis(4-fluorophenyl)imidazol-1-ium
CID 166514496
1-(4-fluorophenyl)-2-phenylpyrrole-3-carboxylic acid
CID 77231600
5-benzyl-6-oxo-1,3-diphenylpyrimidin-3-ium-4-olate
CID 2783615
1,3,5-triphenylimidazo[4,5-b]pyrazin-1-ium
CID 140737488
lithium;1-fluoro-4-phenylbenzene;hydride
CID 173443965
2-(3-fluorophenyl)-1,3-dimethyl-4,5-diphenylimidazol-1-ium
CID 102583025
3-(4-fluorophenyl)-1-phenylpyrazol-4-amine
CID 2104091
3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1-phenyl-4-(trifluoromethyl)pyrrole
CID 59125671
2-(4-fluorophenyl)-3-methyl-1,6-diphenylpyridin-4-one
CID 14303719
3-(4-fluorophenyl)-1,4,6-triphenyl-4-sulfanylidene-1,2,4λ5-diazaphosphinine
CID 4978470
1-(4-fluorophenyl)-3-methylbenzimidazol-3-ium
CID 132571997

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-fluorophenyl)-1,3-diphenylimidazol-1-ium?
The IUPAC name of 4,5-bis(4-fluorophenyl)-1,3-diphenylimidazol-1-ium (CID 25068459) is 4,5-bis(4-fluorophenyl)-1,3-diphenylimidazol-1-ium.
What is the SMILES notation for 4,5-bis(4-fluorophenyl)-1,3-diphenylimidazol-1-ium?
The canonical SMILES for 4,5-bis(4-fluorophenyl)-1,3-diphenylimidazol-1-ium is Fc1ccc(-c2c(-c3ccc(F)cc3)[n+](-c3ccccc3)cn2-c2ccccc2)cc1.
What is the InChIKey of 4,5-bis(4-fluorophenyl)-1,3-diphenylimidazol-1-ium?
The InChIKey is STQXYUAYGCTIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F2N2/c28-22-15-11-20(12-16-22)26-27(21-13-17-23(29)18-14-21)31(25-9-5-2-6-10-25)19-30(26)24-7-3-1-4-8-24/h1-19H/q+1.
What are the key properties of 4,5-bis(4-fluorophenyl)-1,3-diphenylimidazol-1-ium?
4,5-bis(4-fluorophenyl)-1,3-diphenylimidazol-1-ium has a molecular weight of 409.46 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-fluorophenyl)-1,3-diphenylimidazol-1-ium is sourced from PubChem (CID 25068459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).