1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluoro-2-methylphenyl)-3-methylimidazol-3-ium

C32H30FN2+ — CID 58240326

IUPAC1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluoro-2-methylphenyl)-3-methylimidazol-3-ium
SMILESCc1cc(F)ccc1-c1n(-c2c(-c3ccccc3)cc(C(C)C)cc2-c2ccccc2)cc[n+]1C
InChIInChI=1S/C32H30FN2/c1-22(2)26-20-29(24-11-7-5-8-12-24)31(30(21-26)25-13-9-6-10-14-25)35-18-17-34(4)32(35)28-16-15-27(33)19-23(28)3/h5-22H,1-4H3/q+1
InChIKeyQFFOKNLKZCVRML-UHFFFAOYSA-N
MW461.60 g/mol
LogP7.87
Rot. Bonds5

About 1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluoro-2-methylphenyl)-3-methylimidazol-3-ium

1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluoro-2-methylphenyl)-3-methylimidazol-3-ium (PubChem CID 58240326) has the molecular formula C32H30FN2+ and a molecular weight of 461.60 g/mol. Its IUPAC name is 1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluoro-2-methylphenyl)-3-methylimidazol-3-ium.

Molecular Properties

Compound Name1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluoro-2-methylphenyl)-3-methylimidazol-3-ium
PubChem CID58240326
Molecular FormulaC32H30FN2+
Molecular Weight461.60 g/mol
Exact Mass461.24
IUPAC Name1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluoro-2-methylphenyl)-3-methylimidazol-3-ium
SMILESCc1cc(F)ccc1-c1n(-c2c(-c3ccccc3)cc(C(C)C)cc2-c2ccccc2)cc[n+]1C
InChIInChI=1S/C32H30FN2/c1-22(2)26-20-29(24-11-7-5-8-12-24)31(30(21-26)25-13-9-6-10-14-25)35-18-17-34(4)32(35)28-16-15-27(33)19-23(28)3/h5-22H,1-4H3/q+1
InChIKeyQFFOKNLKZCVRML-UHFFFAOYSA-N
XLogP7.87
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.60
LogP ≤ 57.87
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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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluoro-2-methylphenyl)-3-methylimidazol-3-ium?
The IUPAC name of 1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluoro-2-methylphenyl)-3-methylimidazol-3-ium (CID 58240326) is 1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluoro-2-methylphenyl)-3-methylimidazol-3-ium.
What is the SMILES notation for 1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluoro-2-methylphenyl)-3-methylimidazol-3-ium?
The canonical SMILES for 1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluoro-2-methylphenyl)-3-methylimidazol-3-ium is Cc1cc(F)ccc1-c1n(-c2c(-c3ccccc3)cc(C(C)C)cc2-c2ccccc2)cc[n+]1C.
What is the InChIKey of 1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluoro-2-methylphenyl)-3-methylimidazol-3-ium?
The InChIKey is QFFOKNLKZCVRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30FN2/c1-22(2)26-20-29(24-11-7-5-8-12-24)31(30(21-26)25-13-9-6-10-14-25)35-18-17-34(4)32(35)28-16-15-27(33)19-23(28)3/h5-22H,1-4H3/q+1.
What are the key properties of 1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluoro-2-methylphenyl)-3-methylimidazol-3-ium?
1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluoro-2-methylphenyl)-3-methylimidazol-3-ium has a molecular weight of 461.60 g/mol, XLogP of 7.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluoro-2-methylphenyl)-3-methylimidazol-3-ium is sourced from PubChem (CID 58240326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).