diphenyl-[4-[2-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]ethoxy]phenyl]sulfanium;diphenyl-[4-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]phenyl]sulfanium;diphenyl-[4-[3-(2,4,6-triiodophenoxy)propoxy]phenyl]sulfanium;5-[4-[2-(2,4,6-triiodophenoxy)ethoxy]phenyl]dibenzothiophen-5-ium;5-[4-[1-(2,4,6-triiodophenoxy)propan-2-yloxy]phenyl]dibenzothiophen-5-ium

C138H112I15O13S5+5 — CID 161341979

About diphenyl-[4-[2-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]ethoxy]phenyl]sulfanium;diphenyl-[4-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]phenyl]sulfanium;diphenyl-[4-[3-(2,4,6-triiodophenoxy)propoxy]phenyl]sulfanium;5-[4-[2-(2,4,6-triiodophenoxy)ethoxy]phenyl]dibenzothiophen-5-ium;5-[4-[1-(2,4,6-triiodophenoxy)propan-2-yloxy]phenyl]dibenzothiophen-5-ium

diphenyl-[4-[2-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]ethoxy]phenyl]sulfanium;diphenyl-[4-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]phenyl]sulfanium;diphenyl-[4-[3-(2,4,6-triiodophenoxy)propoxy]phenyl]sulfanium;5-[4-[2-(2,4,6-triiodophenoxy)ethoxy]phenyl]dibenzothiophen-5-ium;5-[4-[1-(2,4,6-triiodophenoxy)propan-2-yloxy]phenyl]dibenzothiophen-5-ium (PubChem CID 161341979) has the molecular formula C138H112I15O13S5+5 and a molecular weight of 4042.30 g/mol. Its IUPAC name is diphenyl-[4-[2-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]ethoxy]phenyl]sulfanium;diphenyl-[4-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]phenyl]sulfanium;diphenyl-[4-[3-(2,4,6-triiodophenoxy)propoxy]phenyl]sulfanium;5-[4-[2-(2,4,6-triiodophenoxy)ethoxy]phenyl]dibenzothiophen-5-ium;5-[4-[1-(2,4,6-triiodophenoxy)propan-2-yloxy]phenyl]dibenzothiophen-5-ium.

Molecular Properties

• Compound Name: diphenyl-[4-[2-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]ethoxy]phenyl]sulfanium;diphenyl-[4-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]phenyl]sulfanium;diphenyl-[4-[3-(2,4,6-triiodophenoxy)propoxy]phenyl]sulfanium;5-[4-[2-(2,4,6-triiodophenoxy)ethoxy]phenyl]dibenzothiophen-5-ium;5-[4-[1-(2,4,6-triiodophenoxy)propan-2-yloxy]phenyl]dibenzothiophen-5-ium
• PubChem CID: 161341979
• Molecular Formula: C138H112I15O13S5+5
• Molecular Weight: 4042.30 g/mol
• Exact Mass: 4040.24
• IUPAC Name: diphenyl-[4-[2-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]ethoxy]phenyl]sulfanium;diphenyl-[4-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]phenyl]sulfanium;diphenyl-[4-[3-(2,4,6-triiodophenoxy)propoxy]phenyl]sulfanium;5-[4-[2-(2,4,6-triiodophenoxy)ethoxy]phenyl]dibenzothiophen-5-ium;5-[4-[1-(2,4,6-triiodophenoxy)propan-2-yloxy]phenyl]dibenzothiophen-5-ium
• SMILES: CC(COc1c(I)cc(I)cc1I)Oc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.Ic1cc(I)c(OCCCOc2ccc([S+](c3ccccc3)c3ccccc3)cc2)c(I)c1.Ic1cc(I)c(OCCOCCOCCOc2ccc([S+](c3ccccc3)c3ccccc3)cc2)c(I)c1.Ic1cc(I)c(OCCOCCOc2ccc([S+](c3ccccc3)c3ccccc3)cc2)c(I)c1.Ic1cc(I)c(OCCOc2ccc(-[s+]3c4ccccc4c4ccccc43)cc2)c(I)c1
• InChI: InChI=1S/C30H28I3O4S.C28H24I3O3S.C27H20I3O2S.C27H22I3O2S.C26H18I3O2S/c31-23-21-28(32)30(29(33)22-23)37-20-18-35-16-15-34-17-19-36-24-11-13-27(14-12-24)38(25-7-3-1-4-8-25)26-9-5-2-6-10-26;29-21-19-26(30)28(27(31)20-21)34-18-16-32-15-17-33-22-11-13-25(14-12-22)35(23-7-3-1-4-8-23)24-9-5-2-6-10-24;1-17(16-31-27-23(29)14-18(28)15-24(27)30)32-19-10-12-20(13-11-19)33-25-8-4-2-6-21(25)22-7-3-5-9-26(22)33;28-20-18-25(29)27(26(30)19-20)32-17-7-16-31-21-12-14-24(15-13-21)33(22-8-3-1-4-9-22)23-10-5-2-6-11-23;27-17-15-22(28)26(23(29)16-17)31-14-13-30-18-9-11-19(12-10-18)32-24-7-3-1-5-20(24)21-6-2-4-8-25(21)32/h1-14,21-22H,15-20H2;1-14,19-20H,15-18H2;2-15,17H,16H2,1H3;1-6,8-15,18-19H,7,16-17H2;1-12,15-16H,13-14H2/q5*+1
• InChIKey: VMUCYHXGOGOOJL-UHFFFAOYSA-N
• XLogP: 42.99
• TPSA: 119.99 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 46
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4042.30
LogP ≤ 5	42.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'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 diphenyl-[4-[2-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]ethoxy]phenyl]sulfanium;diphenyl-[4-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]phenyl]sulfanium;diphenyl-[4-[3-(2,4,6-triiodophenoxy)propoxy]phenyl]sulfanium;5-[4-[2-(2,4,6-triiodophenoxy)ethoxy]phenyl]dibenzothiophen-5-ium;5-[4-[1-(2,4,6-triiodophenoxy)propan-2-yloxy]phenyl]dibenzothiophen-5-ium?

The IUPAC name of diphenyl-[4-[2-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]ethoxy]phenyl]sulfanium;diphenyl-[4-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]phenyl]sulfanium;diphenyl-[4-[3-(2,4,6-triiodophenoxy)propoxy]phenyl]sulfanium;5-[4-[2-(2,4,6-triiodophenoxy)ethoxy]phenyl]dibenzothiophen-5-ium;5-[4-[1-(2,4,6-triiodophenoxy)propan-2-yloxy]phenyl]dibenzothiophen-5-ium (CID 161341979) is diphenyl-[4-[2-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]ethoxy]phenyl]sulfanium;diphenyl-[4-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]phenyl]sulfanium;diphenyl-[4-[3-(2,4,6-triiodophenoxy)propoxy]phenyl]sulfanium;5-[4-[2-(2,4,6-triiodophenoxy)ethoxy]phenyl]dibenzothiophen-5-ium;5-[4-[1-(2,4,6-triiodophenoxy)propan-2-yloxy]phenyl]dibenzothiophen-5-ium.

What is the SMILES notation for diphenyl-[4-[2-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]ethoxy]phenyl]sulfanium;diphenyl-[4-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]phenyl]sulfanium;diphenyl-[4-[3-(2,4,6-triiodophenoxy)propoxy]phenyl]sulfanium;5-[4-[2-(2,4,6-triiodophenoxy)ethoxy]phenyl]dibenzothiophen-5-ium;5-[4-[1-(2,4,6-triiodophenoxy)propan-2-yloxy]phenyl]dibenzothiophen-5-ium?

The canonical SMILES for diphenyl-[4-[2-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]ethoxy]phenyl]sulfanium;diphenyl-[4-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]phenyl]sulfanium;diphenyl-[4-[3-(2,4,6-triiodophenoxy)propoxy]phenyl]sulfanium;5-[4-[2-(2,4,6-triiodophenoxy)ethoxy]phenyl]dibenzothiophen-5-ium;5-[4-[1-(2,4,6-triiodophenoxy)propan-2-yloxy]phenyl]dibenzothiophen-5-ium is CC(COc1c(I)cc(I)cc1I)Oc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.Ic1cc(I)c(OCCCOc2ccc([S+](c3ccccc3)c3ccccc3)cc2)c(I)c1.Ic1cc(I)c(OCCOCCOCCOc2ccc([S+](c3ccccc3)c3ccccc3)cc2)c(I)c1.Ic1cc(I)c(OCCOCCOc2ccc([S+](c3ccccc3)c3ccccc3)cc2)c(I)c1.Ic1cc(I)c(OCCOc2ccc(-[s+]3c4ccccc4c4ccccc43)cc2)c(I)c1.

What is the InChIKey of diphenyl-[4-[2-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]ethoxy]phenyl]sulfanium;diphenyl-[4-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]phenyl]sulfanium;diphenyl-[4-[3-(2,4,6-triiodophenoxy)propoxy]phenyl]sulfanium;5-[4-[2-(2,4,6-triiodophenoxy)ethoxy]phenyl]dibenzothiophen-5-ium;5-[4-[1-(2,4,6-triiodophenoxy)propan-2-yloxy]phenyl]dibenzothiophen-5-ium?

The InChIKey is VMUCYHXGOGOOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28I3O4S.C28H24I3O3S.C27H20I3O2S.C27H22I3O2S.C26H18I3O2S/c31-23-21-28(32)30(29(33)22-23)37-20-18-35-16-15-34-17-19-36-24-11-13-27(14-12-24)38(25-7-3-1-4-8-25)26-9-5-2-6-10-26;29-21-19-26(30)28(27(31)20-21)34-18-16-32-15-17-33-22-11-13-25(14-12-22)35(23-7-3-1-4-8-23)24-9-5-2-6-10-24;1-17(16-31-27-23(29)14-18(28)15-24(27)30)32-19-10-12-20(13-11-19)33-25-8-4-2-6-21(25)22-7-3-5-9-26(22)33;28-20-18-25(29)27(26(30)19-20)32-17-7-16-31-21-12-14-24(15-13-21)33(22-8-3-1-4-9-22)23-10-5-2-6-11-23;27-17-15-22(28)26(23(29)16-17)31-14-13-30-18-9-11-19(12-10-18)32-24-7-3-1-5-20(24)21-6-2-4-8-25(21)32/h1-14,21-22H,15-20H2;1-14,19-20H,15-18H2;2-15,17H,16H2,1H3;1-6,8-15,18-19H,7,16-17H2;1-12,15-16H,13-14H2/q5*+1.

What are the key properties of diphenyl-[4-[2-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]ethoxy]phenyl]sulfanium;diphenyl-[4-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]phenyl]sulfanium;diphenyl-[4-[3-(2,4,6-triiodophenoxy)propoxy]phenyl]sulfanium;5-[4-[2-(2,4,6-triiodophenoxy)ethoxy]phenyl]dibenzothiophen-5-ium;5-[4-[1-(2,4,6-triiodophenoxy)propan-2-yloxy]phenyl]dibenzothiophen-5-ium?

diphenyl-[4-[2-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]ethoxy]phenyl]sulfanium;diphenyl-[4-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]phenyl]sulfanium;diphenyl-[4-[3-(2,4,6-triiodophenoxy)propoxy]phenyl]sulfanium;5-[4-[2-(2,4,6-triiodophenoxy)ethoxy]phenyl]dibenzothiophen-5-ium;5-[4-[1-(2,4,6-triiodophenoxy)propan-2-yloxy]phenyl]dibenzothiophen-5-ium has a molecular weight of 4042.30 g/mol, XLogP of 42.99, 46 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for diphenyl-[4-[2-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]ethoxy]phenyl]sulfanium;diphenyl-[4-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]phenyl]sulfanium;diphenyl-[4-[3-(2,4,6-triiodophenoxy)propoxy]phenyl]sulfanium;5-[4-[2-(2,4,6-triiodophenoxy)ethoxy]phenyl]dibenzothiophen-5-ium;5-[4-[1-(2,4,6-triiodophenoxy)propan-2-yloxy]phenyl]dibenzothiophen-5-ium is sourced from PubChem (CID 161341979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).