bis(4-tert-butylphenyl)iodanium;(2-carboxyphenyl)-phenyliodanium;4-(4-carboxy-2,3,5,6-tetrafluorophenoxy)carbonyl-2,6-diiodophenolate;5-(4-carboxy-2,3,5,6-tetrafluorophenoxy)carbonyl-2-iodophenolate;4-[3,5-diiodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]oxy-2,3,5,6-tetrafluorobenzoate;diphenyliodanium;2-fluoro-4-(4-iodobenzoyl)oxybenzoate;(4-fluorophenyl)-phenyliodanium;phenyl-(2,4,6-trimethylphenyl)iodanium;2,3,5-trifluoro-4-(2,3,5-triiodobenzoyl)oxybenzoate

C147H100F17I14NO26 — CID 158002800

About bis(4-tert-butylphenyl)iodanium;(2-carboxyphenyl)-phenyliodanium;4-(4-carboxy-2,3,5,6-tetrafluorophenoxy)carbonyl-2,6-diiodophenolate;5-(4-carboxy-2,3,5,6-tetrafluorophenoxy)carbonyl-2-iodophenolate;4-[3,5-diiodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]oxy-2,3,5,6-tetrafluorobenzoate;diphenyliodanium;2-fluoro-4-(4-iodobenzoyl)oxybenzoate;(4-fluorophenyl)-phenyliodanium;phenyl-(2,4,6-trimethylphenyl)iodanium;2,3,5-trifluoro-4-(2,3,5-triiodobenzoyl)oxybenzoate

bis(4-tert-butylphenyl)iodanium;(2-carboxyphenyl)-phenyliodanium;4-(4-carboxy-2,3,5,6-tetrafluorophenoxy)carbonyl-2,6-diiodophenolate;5-(4-carboxy-2,3,5,6-tetrafluorophenoxy)carbonyl-2-iodophenolate;4-[3,5-diiodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]oxy-2,3,5,6-tetrafluorobenzoate;diphenyliodanium;2-fluoro-4-(4-iodobenzoyl)oxybenzoate;(4-fluorophenyl)-phenyliodanium;phenyl-(2,4,6-trimethylphenyl)iodanium;2,3,5-trifluoro-4-(2,3,5-triiodobenzoyl)oxybenzoate (PubChem CID 158002800) has the molecular formula C147H100F17I14NO26 and a molecular weight of 4396.02 g/mol. Its IUPAC name is bis(4-tert-butylphenyl)iodanium;(2-carboxyphenyl)-phenyliodanium;4-(4-carboxy-2,3,5,6-tetrafluorophenoxy)carbonyl-2,6-diiodophenolate;5-(4-carboxy-2,3,5,6-tetrafluorophenoxy)carbonyl-2-iodophenolate;4-[3,5-diiodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]oxy-2,3,5,6-tetrafluorobenzoate;diphenyliodanium;2-fluoro-4-(4-iodobenzoyl)oxybenzoate;(4-fluorophenyl)-phenyliodanium;phenyl-(2,4,6-trimethylphenyl)iodanium;2,3,5-trifluoro-4-(2,3,5-triiodobenzoyl)oxybenzoate.

Molecular Properties

• Compound Name: bis(4-tert-butylphenyl)iodanium;(2-carboxyphenyl)-phenyliodanium;4-(4-carboxy-2,3,5,6-tetrafluorophenoxy)carbonyl-2,6-diiodophenolate;5-(4-carboxy-2,3,5,6-tetrafluorophenoxy)carbonyl-2-iodophenolate;4-[3,5-diiodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]oxy-2,3,5,6-tetrafluorobenzoate;diphenyliodanium;2-fluoro-4-(4-iodobenzoyl)oxybenzoate;(4-fluorophenyl)-phenyliodanium;phenyl-(2,4,6-trimethylphenyl)iodanium;2,3,5-trifluoro-4-(2,3,5-triiodobenzoyl)oxybenzoate
• PubChem CID: 158002800
• Molecular Formula: C147H100F17I14NO26
• Molecular Weight: 4396.02 g/mol
• Exact Mass: 4394.29
• IUPAC Name: bis(4-tert-butylphenyl)iodanium;(2-carboxyphenyl)-phenyliodanium;4-(4-carboxy-2,3,5,6-tetrafluorophenoxy)carbonyl-2,6-diiodophenolate;5-(4-carboxy-2,3,5,6-tetrafluorophenoxy)carbonyl-2-iodophenolate;4-[3,5-diiodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]oxy-2,3,5,6-tetrafluorobenzoate;diphenyliodanium;2-fluoro-4-(4-iodobenzoyl)oxybenzoate;(4-fluorophenyl)-phenyliodanium;phenyl-(2,4,6-trimethylphenyl)iodanium;2,3,5-trifluoro-4-(2,3,5-triiodobenzoyl)oxybenzoate
• SMILES: CC(C)(C)OC(=O)Nc1c(I)cc(I)cc1C(=O)Oc1c(F)c(F)c(C(=O)[O-])c(F)c1F.CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.Cc1cc(C)c([I+]c2ccccc2)c(C)c1.Fc1ccc([I+]c2ccccc2)cc1.O=C(O)c1ccccc1[I+]c1ccccc1.O=C(Oc1c(F)c(F)c(C(=O)O)c(F)c1F)c1cc(I)c([O-])c(I)c1.O=C(Oc1c(F)c(F)c(C(=O)O)c(F)c1F)c1ccc(I)c([O-])c1.O=C(Oc1ccc(C(=O)[O-])c(F)c1)c1ccc(I)cc1.O=C([O-])c1cc(F)c(OC(=O)c2cc(I)cc(I)c2I)c(F)c1F.c1ccc([I+]c2ccccc2)cc1
• InChI: InChI=1S/C20H26I.C19H13F4I2NO6.C15H16I.C14H4F4I2O5.C14H5F4IO5.C14H4F3I3O4.C14H8FIO4.C13H9IO2.C12H9FI.C12H10I/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;1-19(2,3)32-18(30)26-14-7(4-6(24)5-8(14)25)17(29)31-15-12(22)10(20)9(16(27)28)11(21)13(15)23;1-11-9-12(2)15(13(3)10-11)16-14-7-5-4-6-8-14;15-7-6(13(22)23)8(16)10(18)12(9(7)17)25-14(24)3-1-4(19)11(21)5(20)2-3;15-8-7(13(21)22)9(16)11(18)12(10(8)17)24-14(23)4-1-2-5(19)6(20)3-4;15-7-3-5(13(21)22)9(16)10(17)12(7)24-14(23)6-1-4(18)2-8(19)11(6)20;15-12-7-10(5-6-11(12)13(17)18)20-14(19)8-1-3-9(16)4-2-8;15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10;13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h7-14H,1-6H3;4-5H,1-3H3,(H,26,30)(H,27,28);4-10H,1-3H3;1-2,21H,(H,22,23);1-3,20H,(H,21,22);1-3H,(H,21,22);1-7H,(H,17,18);1-9H;1-9H;1-10H/q+1;;+1;;;;;;2*+1/p-4
• InChIKey: FDXXOPQIPACIDK-UHFFFAOYSA-J
• XLogP: 18.61
• TPSA: 448.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 27
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4396.02
LogP ≤ 5	18.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butylphenyl)iodanium;(2-carboxyphenyl)-phenyliodanium;4-(4-carboxy-2,3,5,6-tetrafluorophenoxy)carbonyl-2,6-diiodophenolate;5-(4-carboxy-2,3,5,6-tetrafluorophenoxy)carbonyl-2-iodophenolate;4-[3,5-diiodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]oxy-2,3,5,6-tetrafluorobenzoate;diphenyliodanium;2-fluoro-4-(4-iodobenzoyl)oxybenzoate;(4-fluorophenyl)-phenyliodanium;phenyl-(2,4,6-trimethylphenyl)iodanium;2,3,5-trifluoro-4-(2,3,5-triiodobenzoyl)oxybenzoate?

The IUPAC name of bis(4-tert-butylphenyl)iodanium;(2-carboxyphenyl)-phenyliodanium;4-(4-carboxy-2,3,5,6-tetrafluorophenoxy)carbonyl-2,6-diiodophenolate;5-(4-carboxy-2,3,5,6-tetrafluorophenoxy)carbonyl-2-iodophenolate;4-[3,5-diiodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]oxy-2,3,5,6-tetrafluorobenzoate;diphenyliodanium;2-fluoro-4-(4-iodobenzoyl)oxybenzoate;(4-fluorophenyl)-phenyliodanium;phenyl-(2,4,6-trimethylphenyl)iodanium;2,3,5-trifluoro-4-(2,3,5-triiodobenzoyl)oxybenzoate (CID 158002800) is bis(4-tert-butylphenyl)iodanium;(2-carboxyphenyl)-phenyliodanium;4-(4-carboxy-2,3,5,6-tetrafluorophenoxy)carbonyl-2,6-diiodophenolate;5-(4-carboxy-2,3,5,6-tetrafluorophenoxy)carbonyl-2-iodophenolate;4-[3,5-diiodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]oxy-2,3,5,6-tetrafluorobenzoate;diphenyliodanium;2-fluoro-4-(4-iodobenzoyl)oxybenzoate;(4-fluorophenyl)-phenyliodanium;phenyl-(2,4,6-trimethylphenyl)iodanium;2,3,5-trifluoro-4-(2,3,5-triiodobenzoyl)oxybenzoate.

What is the SMILES notation for bis(4-tert-butylphenyl)iodanium;(2-carboxyphenyl)-phenyliodanium;4-(4-carboxy-2,3,5,6-tetrafluorophenoxy)carbonyl-2,6-diiodophenolate;5-(4-carboxy-2,3,5,6-tetrafluorophenoxy)carbonyl-2-iodophenolate;4-[3,5-diiodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]oxy-2,3,5,6-tetrafluorobenzoate;diphenyliodanium;2-fluoro-4-(4-iodobenzoyl)oxybenzoate;(4-fluorophenyl)-phenyliodanium;phenyl-(2,4,6-trimethylphenyl)iodanium;2,3,5-trifluoro-4-(2,3,5-triiodobenzoyl)oxybenzoate?

The canonical SMILES for bis(4-tert-butylphenyl)iodanium;(2-carboxyphenyl)-phenyliodanium;4-(4-carboxy-2,3,5,6-tetrafluorophenoxy)carbonyl-2,6-diiodophenolate;5-(4-carboxy-2,3,5,6-tetrafluorophenoxy)carbonyl-2-iodophenolate;4-[3,5-diiodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]oxy-2,3,5,6-tetrafluorobenzoate;diphenyliodanium;2-fluoro-4-(4-iodobenzoyl)oxybenzoate;(4-fluorophenyl)-phenyliodanium;phenyl-(2,4,6-trimethylphenyl)iodanium;2,3,5-trifluoro-4-(2,3,5-triiodobenzoyl)oxybenzoate is CC(C)(C)OC(=O)Nc1c(I)cc(I)cc1C(=O)Oc1c(F)c(F)c(C(=O)[O-])c(F)c1F.CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.Cc1cc(C)c([I+]c2ccccc2)c(C)c1.Fc1ccc([I+]c2ccccc2)cc1.O=C(O)c1ccccc1[I+]c1ccccc1.O=C(Oc1c(F)c(F)c(C(=O)O)c(F)c1F)c1cc(I)c([O-])c(I)c1.O=C(Oc1c(F)c(F)c(C(=O)O)c(F)c1F)c1ccc(I)c([O-])c1.O=C(Oc1ccc(C(=O)[O-])c(F)c1)c1ccc(I)cc1.O=C([O-])c1cc(F)c(OC(=O)c2cc(I)cc(I)c2I)c(F)c1F.c1ccc([I+]c2ccccc2)cc1.

What is the InChIKey of bis(4-tert-butylphenyl)iodanium;(2-carboxyphenyl)-phenyliodanium;4-(4-carboxy-2,3,5,6-tetrafluorophenoxy)carbonyl-2,6-diiodophenolate;5-(4-carboxy-2,3,5,6-tetrafluorophenoxy)carbonyl-2-iodophenolate;4-[3,5-diiodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]oxy-2,3,5,6-tetrafluorobenzoate;diphenyliodanium;2-fluoro-4-(4-iodobenzoyl)oxybenzoate;(4-fluorophenyl)-phenyliodanium;phenyl-(2,4,6-trimethylphenyl)iodanium;2,3,5-trifluoro-4-(2,3,5-triiodobenzoyl)oxybenzoate?

The InChIKey is FDXXOPQIPACIDK-UHFFFAOYSA-J. The full InChI is InChI=1S/C20H26I.C19H13F4I2NO6.C15H16I.C14H4F4I2O5.C14H5F4IO5.C14H4F3I3O4.C14H8FIO4.C13H9IO2.C12H9FI.C12H10I/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;1-19(2,3)32-18(30)26-14-7(4-6(24)5-8(14)25)17(29)31-15-12(22)10(20)9(16(27)28)11(21)13(15)23;1-11-9-12(2)15(13(3)10-11)16-14-7-5-4-6-8-14;15-7-6(13(22)23)8(16)10(18)12(9(7)17)25-14(24)3-1-4(19)11(21)5(20)2-3;15-8-7(13(21)22)9(16)11(18)12(10(8)17)24-14(23)4-1-2-5(19)6(20)3-4;15-7-3-5(13(21)22)9(16)10(17)12(7)24-14(23)6-1-4(18)2-8(19)11(6)20;15-12-7-10(5-6-11(12)13(17)18)20-14(19)8-1-3-9(16)4-2-8;15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10;13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h7-14H,1-6H3;4-5H,1-3H3,(H,26,30)(H,27,28);4-10H,1-3H3;1-2,21H,(H,22,23);1-3,20H,(H,21,22);1-3H,(H,21,22);1-7H,(H,17,18);1-9H;1-9H;1-10H/q+1;;+1;;;;;;2*+1/p-4.

What are the key properties of bis(4-tert-butylphenyl)iodanium;(2-carboxyphenyl)-phenyliodanium;4-(4-carboxy-2,3,5,6-tetrafluorophenoxy)carbonyl-2,6-diiodophenolate;5-(4-carboxy-2,3,5,6-tetrafluorophenoxy)carbonyl-2-iodophenolate;4-[3,5-diiodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]oxy-2,3,5,6-tetrafluorobenzoate;diphenyliodanium;2-fluoro-4-(4-iodobenzoyl)oxybenzoate;(4-fluorophenyl)-phenyliodanium;phenyl-(2,4,6-trimethylphenyl)iodanium;2,3,5-trifluoro-4-(2,3,5-triiodobenzoyl)oxybenzoate?

bis(4-tert-butylphenyl)iodanium;(2-carboxyphenyl)-phenyliodanium;4-(4-carboxy-2,3,5,6-tetrafluorophenoxy)carbonyl-2,6-diiodophenolate;5-(4-carboxy-2,3,5,6-tetrafluorophenoxy)carbonyl-2-iodophenolate;4-[3,5-diiodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]oxy-2,3,5,6-tetrafluorobenzoate;diphenyliodanium;2-fluoro-4-(4-iodobenzoyl)oxybenzoate;(4-fluorophenyl)-phenyliodanium;phenyl-(2,4,6-trimethylphenyl)iodanium;2,3,5-trifluoro-4-(2,3,5-triiodobenzoyl)oxybenzoate has a molecular weight of 4396.02 g/mol, XLogP of 18.61, 27 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-tert-butylphenyl)iodanium;(2-carboxyphenyl)-phenyliodanium;4-(4-carboxy-2,3,5,6-tetrafluorophenoxy)carbonyl-2,6-diiodophenolate;5-(4-carboxy-2,3,5,6-tetrafluorophenoxy)carbonyl-2-iodophenolate;4-[3,5-diiodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]oxy-2,3,5,6-tetrafluorobenzoate;diphenyliodanium;2-fluoro-4-(4-iodobenzoyl)oxybenzoate;(4-fluorophenyl)-phenyliodanium;phenyl-(2,4,6-trimethylphenyl)iodanium;2,3,5-trifluoro-4-(2,3,5-triiodobenzoyl)oxybenzoate is sourced from PubChem (CID 158002800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).