[4-[4-bis(4-fluorophenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;[4-[4-bis[4-(2-hydroxyethoxy)phenyl]sulfoniophenyl]sulfanylphenyl]-bis[4-(2-hydroxyethoxy)phenyl]sulfanium

C80H68F4O8S6+4 — CID 158928680

IUPAC[4-[4-bis(4-fluorophenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;[4-[4-bis[4-(2-hydroxyethoxy)phenyl]sulfoniophenyl]sulfanylphenyl]-bis[4-(2-hydroxyethoxy)phenyl]sulfanium
SMILESFc1ccc([S+](c2ccc(F)cc2)c2ccc(Sc3ccc([S+](c4ccc(F)cc4)c4ccc(F)cc4)cc3)cc2)cc1.OCCOc1ccc([S+](c2ccc(OCCO)cc2)c2ccc(Sc3ccc([S+](c4ccc(OCCO)cc4)c4ccc(OCCO)cc4)cc3)cc2)cc1
InChIInChI=1S/C44H44O8S3.C36H24F4S3/c45-25-29-49-33-1-13-39(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;37-25-1-13-31(14-2-25)42(32-15-3-26(38)4-16-32)35-21-9-29(10-22-35)41-30-11-23-36(24-12-30)43(33-17-5-27(39)6-18-33)34-19-7-28(40)8-20-34/h1-24,45-48H,25-32H2;1-24H/q2*+2
InChIKeyJITNTBZHLXZVBI-UHFFFAOYSA-N
MW1425.81 g/mol
LogP18.10
Rot. Bonds28

About [4-[4-bis(4-fluorophenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;[4-[4-bis[4-(2-hydroxyethoxy)phenyl]sulfoniophenyl]sulfanylphenyl]-bis[4-(2-hydroxyethoxy)phenyl]sulfanium

[4-[4-bis(4-fluorophenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;[4-[4-bis[4-(2-hydroxyethoxy)phenyl]sulfoniophenyl]sulfanylphenyl]-bis[4-(2-hydroxyethoxy)phenyl]sulfanium (PubChem CID 158928680) has the molecular formula C80H68F4O8S6+4 and a molecular weight of 1425.81 g/mol. Its IUPAC name is [4-[4-bis(4-fluorophenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;[4-[4-bis[4-(2-hydroxyethoxy)phenyl]sulfoniophenyl]sulfanylphenyl]-bis[4-(2-hydroxyethoxy)phenyl]sulfanium.

Molecular Properties

Compound Name[4-[4-bis(4-fluorophenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;[4-[4-bis[4-(2-hydroxyethoxy)phenyl]sulfoniophenyl]sulfanylphenyl]-bis[4-(2-hydroxyethoxy)phenyl]sulfanium
PubChem CID158928680
Molecular FormulaC80H68F4O8S6+4
Molecular Weight1425.81 g/mol
Exact Mass1424.32
IUPAC Name[4-[4-bis(4-fluorophenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;[4-[4-bis[4-(2-hydroxyethoxy)phenyl]sulfoniophenyl]sulfanylphenyl]-bis[4-(2-hydroxyethoxy)phenyl]sulfanium
SMILESFc1ccc([S+](c2ccc(F)cc2)c2ccc(Sc3ccc([S+](c4ccc(F)cc4)c4ccc(F)cc4)cc3)cc2)cc1.OCCOc1ccc([S+](c2ccc(OCCO)cc2)c2ccc(Sc3ccc([S+](c4ccc(OCCO)cc4)c4ccc(OCCO)cc4)cc3)cc2)cc1
InChIInChI=1S/C44H44O8S3.C36H24F4S3/c45-25-29-49-33-1-13-39(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;37-25-1-13-31(14-2-25)42(32-15-3-26(38)4-16-32)35-21-9-29(10-22-35)41-30-11-23-36(24-12-30)43(33-17-5-27(39)6-18-33)34-19-7-28(40)8-20-34/h1-24,45-48H,25-32H2;1-24H/q2*+2
InChIKeyJITNTBZHLXZVBI-UHFFFAOYSA-N
XLogP18.10
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds28
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001425.81
LogP ≤ 518.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [4-[4-bis(4-fluorophenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;[4-[4-bis[4-(2-hydroxyethoxy)phenyl]sulfoniophenyl]sulfanylphenyl]-bis[4-(2-hydroxyethoxy)phenyl]sulfanium with MolForge

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Related Compounds

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
bis[4-(2-hydroxyethoxy)phenyl]-phenylsulfanium hexafluorophosphate
CID 141214793
3-[4-(4-fluorophenyl)phenoxy]propan-1-ol
CID 54464679
diphenyl-(4-phenylsulfanylphenyl)sulfanium;(4-fluorophenyl)-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;(4-phenoxyphenyl)-diphenylsulfanium
CID 160777188
CID 162335780
CID 162335780
bis(4-butoxyphenyl)-(4-fluorophenyl)sulfanium;1,1,3,3,3-pentafluoro-2-hydroxypropane-1-sulfonate
CID 160599604
6-(4-methylsulfanylphenoxy)hexan-1-ol
CID 103867882
1-methylsulfanyl-4-[2-(4-methylsulfanylphenoxy)ethoxy]benzene
CID 70368066
bis[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-phenylsulfanium
CID 101131128
1-bromo-4-[2-(4-fluorophenyl)sulfanylethoxy]benzene
CID 60623467
2-[4-[3-[4-(2-hydroxyethoxy)phenyl]sulfanyl-2,2-dimethylpropyl]sulfanylphenoxy]ethanol
CID 167002570
4-[2-(4-fluorophenyl)sulfanylethoxy]aniline
CID 43366307

Frequently Asked Questions

What is the IUPAC name of [4-[4-bis(4-fluorophenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;[4-[4-bis[4-(2-hydroxyethoxy)phenyl]sulfoniophenyl]sulfanylphenyl]-bis[4-(2-hydroxyethoxy)phenyl]sulfanium?
The IUPAC name of [4-[4-bis(4-fluorophenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;[4-[4-bis[4-(2-hydroxyethoxy)phenyl]sulfoniophenyl]sulfanylphenyl]-bis[4-(2-hydroxyethoxy)phenyl]sulfanium (CID 158928680) is [4-[4-bis(4-fluorophenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;[4-[4-bis[4-(2-hydroxyethoxy)phenyl]sulfoniophenyl]sulfanylphenyl]-bis[4-(2-hydroxyethoxy)phenyl]sulfanium.
What is the SMILES notation for [4-[4-bis(4-fluorophenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;[4-[4-bis[4-(2-hydroxyethoxy)phenyl]sulfoniophenyl]sulfanylphenyl]-bis[4-(2-hydroxyethoxy)phenyl]sulfanium?
The canonical SMILES for [4-[4-bis(4-fluorophenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;[4-[4-bis[4-(2-hydroxyethoxy)phenyl]sulfoniophenyl]sulfanylphenyl]-bis[4-(2-hydroxyethoxy)phenyl]sulfanium is Fc1ccc([S+](c2ccc(F)cc2)c2ccc(Sc3ccc([S+](c4ccc(F)cc4)c4ccc(F)cc4)cc3)cc2)cc1.OCCOc1ccc([S+](c2ccc(OCCO)cc2)c2ccc(Sc3ccc([S+](c4ccc(OCCO)cc4)c4ccc(OCCO)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-[4-bis(4-fluorophenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;[4-[4-bis[4-(2-hydroxyethoxy)phenyl]sulfoniophenyl]sulfanylphenyl]-bis[4-(2-hydroxyethoxy)phenyl]sulfanium?
The InChIKey is JITNTBZHLXZVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H44O8S3.C36H24F4S3/c45-25-29-49-33-1-13-39(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;37-25-1-13-31(14-2-25)42(32-15-3-26(38)4-16-32)35-21-9-29(10-22-35)41-30-11-23-36(24-12-30)43(33-17-5-27(39)6-18-33)34-19-7-28(40)8-20-34/h1-24,45-48H,25-32H2;1-24H/q2*+2.
What are the key properties of [4-[4-bis(4-fluorophenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;[4-[4-bis[4-(2-hydroxyethoxy)phenyl]sulfoniophenyl]sulfanylphenyl]-bis[4-(2-hydroxyethoxy)phenyl]sulfanium?
[4-[4-bis(4-fluorophenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;[4-[4-bis[4-(2-hydroxyethoxy)phenyl]sulfoniophenyl]sulfanylphenyl]-bis[4-(2-hydroxyethoxy)phenyl]sulfanium has a molecular weight of 1425.81 g/mol, XLogP of 18.10, 28 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-bis(4-fluorophenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;[4-[4-bis[4-(2-hydroxyethoxy)phenyl]sulfoniophenyl]sulfanylphenyl]-bis[4-(2-hydroxyethoxy)phenyl]sulfanium is sourced from PubChem (CID 158928680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).