diphenyliodanium;2-[[2-ethyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl]oxy]ethyl 2,2-difluoropropanoate;[2-ethyl-5-[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-methyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;bis(tris(4-methylphenyl)sulfanium)

C132H154F6IO23S2+3 — CID 158949875

About diphenyliodanium;2-[[2-ethyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl]oxy]ethyl 2,2-difluoropropanoate;[2-ethyl-5-[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-methyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;bis(tris(4-methylphenyl)sulfanium)

diphenyliodanium;2-[[2-ethyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl]oxy]ethyl 2,2-difluoropropanoate;[2-ethyl-5-[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-methyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;bis(tris(4-methylphenyl)sulfanium) (PubChem CID 158949875) has the molecular formula C132H154F6IO23S2+3 and a molecular weight of 2413.69 g/mol. Its IUPAC name is diphenyliodanium;2-[[2-ethyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl]oxy]ethyl 2,2-difluoropropanoate;[2-ethyl-5-[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-methyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;bis(tris(4-methylphenyl)sulfanium).

Molecular Properties

• Compound Name: diphenyliodanium;2-[[2-ethyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl]oxy]ethyl 2,2-difluoropropanoate;[2-ethyl-5-[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-methyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;bis(tris(4-methylphenyl)sulfanium)
• PubChem CID: 158949875
• Molecular Formula: C132H154F6IO23S2+3
• Molecular Weight: 2413.69 g/mol
• Exact Mass: 2411.93
• IUPAC Name: diphenyliodanium;2-[[2-ethyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl]oxy]ethyl 2,2-difluoropropanoate;[2-ethyl-5-[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-methyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;bis(tris(4-methylphenyl)sulfanium)
• SMILES: CC(F)(F)C(=O)OC1(C)C2CC3CC1CC(OCC(=O)OC1C4CC5C(=O)OC1C5C4)(C3)C2.CCC1(OC(=O)C(C)(F)F)C2CC3CC1CC(OCC(=O)OCCOC1C4CC5C(=O)OC1C5C4)(C3)C2.CCC1(OCCOC(=O)C(C)(F)F)C2CC3CC1CC(OCC(=O)OC1C4CC5C(=O)OC1C5C4)(C3)C2.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.c1ccc([I+]c2ccccc2)cc1
• InChI: InChI=1S/2C27H36F2O8.C24H30F2O7.2C21H21S.C12H10I/c1-3-27(34-5-4-33-24(32)25(2,28)29)16-6-14-7-17(27)12-26(10-14,11-16)35-13-20(30)36-21-15-8-18-19(9-15)23(31)37-22(18)21;1-3-27(37-24(32)25(2,28)29)16-6-14-7-17(27)12-26(10-14,11-16)35-13-20(30)33-4-5-34-21-15-8-18-19(9-15)23(31)36-22(18)21;1-22(33-21(29)23(2,25)26)13-3-11-4-14(22)9-24(7-11,8-13)30-10-17(27)31-18-12-5-15-16(6-12)20(28)32-19(15)18;2*1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h2*14-19,21-22H,3-13H2,1-2H3;11-16,18-19H,3-10H2,1-2H3;2*4-15H,1-3H3;1-10H/q;;;3*+1
• InChIKey: JLHFETZTTXAXDX-UHFFFAOYSA-N
• XLogP: 21.14
• TPSA: 282.85 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 34
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2413.69
LogP ≤ 5	21.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of diphenyliodanium;2-[[2-ethyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl]oxy]ethyl 2,2-difluoropropanoate;[2-ethyl-5-[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-methyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;bis(tris(4-methylphenyl)sulfanium)?

The IUPAC name of diphenyliodanium;2-[[2-ethyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl]oxy]ethyl 2,2-difluoropropanoate;[2-ethyl-5-[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-methyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;bis(tris(4-methylphenyl)sulfanium) (CID 158949875) is diphenyliodanium;2-[[2-ethyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl]oxy]ethyl 2,2-difluoropropanoate;[2-ethyl-5-[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-methyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;bis(tris(4-methylphenyl)sulfanium).

What is the SMILES notation for diphenyliodanium;2-[[2-ethyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl]oxy]ethyl 2,2-difluoropropanoate;[2-ethyl-5-[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-methyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;bis(tris(4-methylphenyl)sulfanium)?

The canonical SMILES for diphenyliodanium;2-[[2-ethyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl]oxy]ethyl 2,2-difluoropropanoate;[2-ethyl-5-[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-methyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;bis(tris(4-methylphenyl)sulfanium) is CC(F)(F)C(=O)OC1(C)C2CC3CC1CC(OCC(=O)OC1C4CC5C(=O)OC1C5C4)(C3)C2.CCC1(OC(=O)C(C)(F)F)C2CC3CC1CC(OCC(=O)OCCOC1C4CC5C(=O)OC1C5C4)(C3)C2.CCC1(OCCOC(=O)C(C)(F)F)C2CC3CC1CC(OCC(=O)OC1C4CC5C(=O)OC1C5C4)(C3)C2.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.c1ccc([I+]c2ccccc2)cc1.

What is the InChIKey of diphenyliodanium;2-[[2-ethyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl]oxy]ethyl 2,2-difluoropropanoate;[2-ethyl-5-[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-methyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;bis(tris(4-methylphenyl)sulfanium)?

The InChIKey is JLHFETZTTXAXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H36F2O8.C24H30F2O7.2C21H21S.C12H10I/c1-3-27(34-5-4-33-24(32)25(2,28)29)16-6-14-7-17(27)12-26(10-14,11-16)35-13-20(30)36-21-15-8-18-19(9-15)23(31)37-22(18)21;1-3-27(37-24(32)25(2,28)29)16-6-14-7-17(27)12-26(10-14,11-16)35-13-20(30)33-4-5-34-21-15-8-18-19(9-15)23(31)36-22(18)21;1-22(33-21(29)23(2,25)26)13-3-11-4-14(22)9-24(7-11,8-13)30-10-17(27)31-18-12-5-15-16(6-12)20(28)32-19(15)18;2*1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h2*14-19,21-22H,3-13H2,1-2H3;11-16,18-19H,3-10H2,1-2H3;2*4-15H,1-3H3;1-10H/q;;;3*+1.

What are the key properties of diphenyliodanium;2-[[2-ethyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl]oxy]ethyl 2,2-difluoropropanoate;[2-ethyl-5-[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-methyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;bis(tris(4-methylphenyl)sulfanium)?

diphenyliodanium;2-[[2-ethyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl]oxy]ethyl 2,2-difluoropropanoate;[2-ethyl-5-[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-methyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;bis(tris(4-methylphenyl)sulfanium) has a molecular weight of 2413.69 g/mol, XLogP of 21.14, 34 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for diphenyliodanium;2-[[2-ethyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl]oxy]ethyl 2,2-difluoropropanoate;[2-ethyl-5-[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-methyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;bis(tris(4-methylphenyl)sulfanium) is sourced from PubChem (CID 158949875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).