bis([4-[4-bis[4-(2-hydroxyethoxy)phenyl]sulfoniophenyl]sulfanylphenyl]-bis[4-(2-hydroxyethoxy)phenyl]sulfanium);pentafluoro-λ5-stibane;tetrafluoro-λ5-stibane;difluoride;dihexafluorophosphate;hydrofluoride

C88H90F24O16P2S6Sb2 — CID 162167063

About bis([4-[4-bis[4-(2-hydroxyethoxy)phenyl]sulfoniophenyl]sulfanylphenyl]-bis[4-(2-hydroxyethoxy)phenyl]sulfanium);pentafluoro-λ5-stibane;tetrafluoro-λ5-stibane;difluoride;dihexafluorophosphate;hydrofluoride

bis([4-[4-bis[4-(2-hydroxyethoxy)phenyl]sulfoniophenyl]sulfanylphenyl]-bis[4-(2-hydroxyethoxy)phenyl]sulfanium);pentafluoro-λ5-stibane;tetrafluoro-λ5-stibane;difluoride;dihexafluorophosphate;hydrofluoride (PubChem CID 162167063) has the molecular formula C88H90F24O16P2S6Sb2 and a molecular weight of 2357.49 g/mol. Its IUPAC name is bis([4-[4-bis[4-(2-hydroxyethoxy)phenyl]sulfoniophenyl]sulfanylphenyl]-bis[4-(2-hydroxyethoxy)phenyl]sulfanium);pentafluoro-λ5-stibane;tetrafluoro-λ5-stibane;difluoride;dihexafluorophosphate;hydrofluoride.

Molecular Properties

• Compound Name: bis([4-[4-bis[4-(2-hydroxyethoxy)phenyl]sulfoniophenyl]sulfanylphenyl]-bis[4-(2-hydroxyethoxy)phenyl]sulfanium);pentafluoro-λ5-stibane;tetrafluoro-λ5-stibane;difluoride;dihexafluorophosphate;hydrofluoride
• PubChem CID: 162167063
• Molecular Formula: C88H90F24O16P2S6Sb2
• Molecular Weight: 2357.49 g/mol
• Exact Mass: 2354.17
• IUPAC Name: bis([4-[4-bis[4-(2-hydroxyethoxy)phenyl]sulfoniophenyl]sulfanylphenyl]-bis[4-(2-hydroxyethoxy)phenyl]sulfanium);pentafluoro-λ5-stibane;tetrafluoro-λ5-stibane;difluoride;dihexafluorophosphate;hydrofluoride
• SMILES: F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[SbH](F)(F)F.F[Sb](F)(F)(F)F.OCCOc1ccc([S+](c2ccc(OCCO)cc2)c2ccc(Sc3ccc([S+](c4ccc(OCCO)cc4)c4ccc(OCCO)cc4)cc3)cc2)cc1.OCCOc1ccc([S+](c2ccc(OCCO)cc2)c2ccc(Sc3ccc([S+](c4ccc(OCCO)cc4)c4ccc(OCCO)cc4)cc3)cc2)cc1.[F-].[F-]
• InChI: InChI=1S/2C44H44O8S3.2F6P.12FH.2Sb.H/c2*45-25-29-49-33-1-13-39(14-2-33)54(40-15-3-34(4-16-40)50-30-26-46)43-21-9-37(10-22-43)53-38-11-23-44(24-12-38)55(41-17-5-35(6-18-41)51-31-27-47)42-19-7-36(8-20-42)52-32-28-48;2*1-7(2,3,4,5)6;;;;;;;;;;;;;;;/h2*1-24,45-48H,25-32H2;;;12*1H;;;/q2*+2;2*-1;;;;;;;;;;;;;+4;+5;/p-11
• InChIKey: QBVNELQZAKGLHC-UHFFFAOYSA-C
• XLogP: 18.70
• TPSA: 235.68 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 40
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2357.49
LogP ≤ 5	18.70
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis([4-[4-bis[4-(2-hydroxyethoxy)phenyl]sulfoniophenyl]sulfanylphenyl]-bis[4-(2-hydroxyethoxy)phenyl]sulfanium);pentafluoro-λ5-stibane;tetrafluoro-λ5-stibane;difluoride;dihexafluorophosphate;hydrofluoride?

The IUPAC name of bis([4-[4-bis[4-(2-hydroxyethoxy)phenyl]sulfoniophenyl]sulfanylphenyl]-bis[4-(2-hydroxyethoxy)phenyl]sulfanium);pentafluoro-λ5-stibane;tetrafluoro-λ5-stibane;difluoride;dihexafluorophosphate;hydrofluoride (CID 162167063) is bis([4-[4-bis[4-(2-hydroxyethoxy)phenyl]sulfoniophenyl]sulfanylphenyl]-bis[4-(2-hydroxyethoxy)phenyl]sulfanium);pentafluoro-λ5-stibane;tetrafluoro-λ5-stibane;difluoride;dihexafluorophosphate;hydrofluoride.

What is the SMILES notation for bis([4-[4-bis[4-(2-hydroxyethoxy)phenyl]sulfoniophenyl]sulfanylphenyl]-bis[4-(2-hydroxyethoxy)phenyl]sulfanium);pentafluoro-λ5-stibane;tetrafluoro-λ5-stibane;difluoride;dihexafluorophosphate;hydrofluoride?

The canonical SMILES for bis([4-[4-bis[4-(2-hydroxyethoxy)phenyl]sulfoniophenyl]sulfanylphenyl]-bis[4-(2-hydroxyethoxy)phenyl]sulfanium);pentafluoro-λ5-stibane;tetrafluoro-λ5-stibane;difluoride;dihexafluorophosphate;hydrofluoride is F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[SbH](F)(F)F.F[Sb](F)(F)(F)F.OCCOc1ccc([S+](c2ccc(OCCO)cc2)c2ccc(Sc3ccc([S+](c4ccc(OCCO)cc4)c4ccc(OCCO)cc4)cc3)cc2)cc1.OCCOc1ccc([S+](c2ccc(OCCO)cc2)c2ccc(Sc3ccc([S+](c4ccc(OCCO)cc4)c4ccc(OCCO)cc4)cc3)cc2)cc1.[F-].[F-].

What is the InChIKey of bis([4-[4-bis[4-(2-hydroxyethoxy)phenyl]sulfoniophenyl]sulfanylphenyl]-bis[4-(2-hydroxyethoxy)phenyl]sulfanium);pentafluoro-λ5-stibane;tetrafluoro-λ5-stibane;difluoride;dihexafluorophosphate;hydrofluoride?

The InChIKey is QBVNELQZAKGLHC-UHFFFAOYSA-C. The full InChI is InChI=1S/2C44H44O8S3.2F6P.12FH.2Sb.H/c2*45-25-29-49-33-1-13-39(14-2-33)54(40-15-3-34(4-16-40)50-30-26-46)43-21-9-37(10-22-43)53-38-11-23-44(24-12-38)55(41-17-5-35(6-18-41)51-31-27-47)42-19-7-36(8-20-42)52-32-28-48;2*1-7(2,3,4,5)6;;;;;;;;;;;;;;;/h2*1-24,45-48H,25-32H2;;;12*1H;;;/q2*+2;2*-1;;;;;;;;;;;;;+4;+5;/p-11.

What are the key properties of bis([4-[4-bis[4-(2-hydroxyethoxy)phenyl]sulfoniophenyl]sulfanylphenyl]-bis[4-(2-hydroxyethoxy)phenyl]sulfanium);pentafluoro-λ5-stibane;tetrafluoro-λ5-stibane;difluoride;dihexafluorophosphate;hydrofluoride?

bis([4-[4-bis[4-(2-hydroxyethoxy)phenyl]sulfoniophenyl]sulfanylphenyl]-bis[4-(2-hydroxyethoxy)phenyl]sulfanium);pentafluoro-λ5-stibane;tetrafluoro-λ5-stibane;difluoride;dihexafluorophosphate;hydrofluoride has a molecular weight of 2357.49 g/mol, XLogP of 18.70, 40 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for bis([4-[4-bis[4-(2-hydroxyethoxy)phenyl]sulfoniophenyl]sulfanylphenyl]-bis[4-(2-hydroxyethoxy)phenyl]sulfanium);pentafluoro-λ5-stibane;tetrafluoro-λ5-stibane;difluoride;dihexafluorophosphate;hydrofluoride is sourced from PubChem (CID 162167063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).