di(imidazol-1-yl)methanone;bis(diphenyliodanium);methane;1,1,1,3,3-pentafluorobutan-2-yl 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl 5-oxo-2-(2,4,6-triiodophenoxy)carbonyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2,4,6-triiodophenol

C71H60F10I8N4O14+2 — CID 165006705

About di(imidazol-1-yl)methanone;bis(diphenyliodanium);methane;1,1,1,3,3-pentafluorobutan-2-yl 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl 5-oxo-2-(2,4,6-triiodophenoxy)carbonyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2,4,6-triiodophenol

di(imidazol-1-yl)methanone;bis(diphenyliodanium);methane;1,1,1,3,3-pentafluorobutan-2-yl 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl 5-oxo-2-(2,4,6-triiodophenoxy)carbonyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2,4,6-triiodophenol (PubChem CID 165006705) has the molecular formula C71H60F10I8N4O14+2 and a molecular weight of 2398.49 g/mol. Its IUPAC name is di(imidazol-1-yl)methanone;bis(diphenyliodanium);methane;1,1,1,3,3-pentafluorobutan-2-yl 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl 5-oxo-2-(2,4,6-triiodophenoxy)carbonyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2,4,6-triiodophenol.

Molecular Properties

• Compound Name: di(imidazol-1-yl)methanone;bis(diphenyliodanium);methane;1,1,1,3,3-pentafluorobutan-2-yl 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl 5-oxo-2-(2,4,6-triiodophenoxy)carbonyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2,4,6-triiodophenol
• PubChem CID: 165006705
• Molecular Formula: C71H60F10I8N4O14+2
• Molecular Weight: 2398.49 g/mol
• Exact Mass: 2397.63
• IUPAC Name: di(imidazol-1-yl)methanone;bis(diphenyliodanium);methane;1,1,1,3,3-pentafluorobutan-2-yl 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl 5-oxo-2-(2,4,6-triiodophenoxy)carbonyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2,4,6-triiodophenol
• SMILES: C.CC(F)(F)C(OC(=O)C1C2CC3C(OC(=O)C31)C2O)C(F)(F)F.CC(F)(F)C(OC(=O)C1C2CC3C(OC(=O)C31)C2OC(=O)Oc1c(I)cc(I)cc1I)C(F)(F)F.O=C(n1ccnc1)n1ccnc1.Oc1c(I)cc(I)cc1I.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1
• InChI: InChI=1S/C20H14F5I3O7.C13H13F5O5.2C12H10I.C7H6N4O.C6H3I3O.CH4/c1-19(21,22)17(20(23,24)25)35-16(30)11-7-4-6-10(11)15(29)32-12(6)13(7)33-18(31)34-14-8(27)2-5(26)3-9(14)28;1-12(14,15)11(13(16,17)18)23-10(21)5-3-2-4-6(5)9(20)22-8(4)7(3)19;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;12-7(10-3-1-8-5-10)11-4-2-9-6-11;7-3-1-4(8)6(10)5(9)2-3;/h2-3,6-7,10-13,17H,4H2,1H3;3-8,11,19H,2H2,1H3;2*1-10H;1-6H;1-2,10H;1H4/q;;2*+1
• InChIKey: JBOBWLPLFSHKTH-UHFFFAOYSA-N
• XLogP: 10.67
• TPSA: 233.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2398.49
LogP ≤ 5	10.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of di(imidazol-1-yl)methanone;bis(diphenyliodanium);methane;1,1,1,3,3-pentafluorobutan-2-yl 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl 5-oxo-2-(2,4,6-triiodophenoxy)carbonyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2,4,6-triiodophenol?

The IUPAC name of di(imidazol-1-yl)methanone;bis(diphenyliodanium);methane;1,1,1,3,3-pentafluorobutan-2-yl 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl 5-oxo-2-(2,4,6-triiodophenoxy)carbonyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2,4,6-triiodophenol (CID 165006705) is di(imidazol-1-yl)methanone;bis(diphenyliodanium);methane;1,1,1,3,3-pentafluorobutan-2-yl 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl 5-oxo-2-(2,4,6-triiodophenoxy)carbonyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2,4,6-triiodophenol.

What is the SMILES notation for di(imidazol-1-yl)methanone;bis(diphenyliodanium);methane;1,1,1,3,3-pentafluorobutan-2-yl 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl 5-oxo-2-(2,4,6-triiodophenoxy)carbonyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2,4,6-triiodophenol?

The canonical SMILES for di(imidazol-1-yl)methanone;bis(diphenyliodanium);methane;1,1,1,3,3-pentafluorobutan-2-yl 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl 5-oxo-2-(2,4,6-triiodophenoxy)carbonyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2,4,6-triiodophenol is C.CC(F)(F)C(OC(=O)C1C2CC3C(OC(=O)C31)C2O)C(F)(F)F.CC(F)(F)C(OC(=O)C1C2CC3C(OC(=O)C31)C2OC(=O)Oc1c(I)cc(I)cc1I)C(F)(F)F.O=C(n1ccnc1)n1ccnc1.Oc1c(I)cc(I)cc1I.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.

What is the InChIKey of di(imidazol-1-yl)methanone;bis(diphenyliodanium);methane;1,1,1,3,3-pentafluorobutan-2-yl 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl 5-oxo-2-(2,4,6-triiodophenoxy)carbonyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2,4,6-triiodophenol?

The InChIKey is JBOBWLPLFSHKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F5I3O7.C13H13F5O5.2C12H10I.C7H6N4O.C6H3I3O.CH4/c1-19(21,22)17(20(23,24)25)35-16(30)11-7-4-6-10(11)15(29)32-12(6)13(7)33-18(31)34-14-8(27)2-5(26)3-9(14)28;1-12(14,15)11(13(16,17)18)23-10(21)5-3-2-4-6(5)9(20)22-8(4)7(3)19;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;12-7(10-3-1-8-5-10)11-4-2-9-6-11;7-3-1-4(8)6(10)5(9)2-3;/h2-3,6-7,10-13,17H,4H2,1H3;3-8,11,19H,2H2,1H3;2*1-10H;1-6H;1-2,10H;1H4/q;;2*+1;;;.

What are the key properties of di(imidazol-1-yl)methanone;bis(diphenyliodanium);methane;1,1,1,3,3-pentafluorobutan-2-yl 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl 5-oxo-2-(2,4,6-triiodophenoxy)carbonyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2,4,6-triiodophenol?

di(imidazol-1-yl)methanone;bis(diphenyliodanium);methane;1,1,1,3,3-pentafluorobutan-2-yl 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl 5-oxo-2-(2,4,6-triiodophenoxy)carbonyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2,4,6-triiodophenol has a molecular weight of 2398.49 g/mol, XLogP of 10.67, 12 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for di(imidazol-1-yl)methanone;bis(diphenyliodanium);methane;1,1,1,3,3-pentafluorobutan-2-yl 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl 5-oxo-2-(2,4,6-triiodophenoxy)carbonyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2,4,6-triiodophenol is sourced from PubChem (CID 165006705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).