(4-fluorophenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;10-(4-methylphenyl)phenoxathiin-10-ium;4-phenoxathiin-10-ium-10-ylphenol;tris(4-fluorophenyl)sulfanium

C92H71F4O4S5+5 — CID 157436751

IUPAC(4-fluorophenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;10-(4-methylphenyl)phenoxathiin-10-ium;4-phenoxathiin-10-ium-10-ylphenol;tris(4-fluorophenyl)sulfanium
SMILESCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Oc1ccc([S+]2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C19H15OS.C19H17OS.C18H12F3S.C18H14FS.C18H12O2S/c1-14-10-12-15(13-11-14)21-18-8-4-2-6-16(18)20-17-7-3-5-9-19(17)21;1-20-16-12-14-19(15-13-16)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18;19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;19-13-9-11-14(12-10-13)21-17-7-3-1-5-15(17)20-16-6-2-4-8-18(16)21/h2-13H,1H3;2-15H,1H3;1-12H;1-14H;1-12H/q4*+1;/p+1
InChIKeyBREVBAWFIZNJES-UHFFFAOYSA-O
MW1476.90 g/mol
LogP24.70
Rot. Bonds12

About (4-fluorophenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;10-(4-methylphenyl)phenoxathiin-10-ium;4-phenoxathiin-10-ium-10-ylphenol;tris(4-fluorophenyl)sulfanium

(4-fluorophenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;10-(4-methylphenyl)phenoxathiin-10-ium;4-phenoxathiin-10-ium-10-ylphenol;tris(4-fluorophenyl)sulfanium (PubChem CID 157436751) has the molecular formula C92H71F4O4S5+5 and a molecular weight of 1476.90 g/mol. Its IUPAC name is (4-fluorophenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;10-(4-methylphenyl)phenoxathiin-10-ium;4-phenoxathiin-10-ium-10-ylphenol;tris(4-fluorophenyl)sulfanium.

Molecular Properties

Compound Name(4-fluorophenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;10-(4-methylphenyl)phenoxathiin-10-ium;4-phenoxathiin-10-ium-10-ylphenol;tris(4-fluorophenyl)sulfanium
PubChem CID157436751
Molecular FormulaC92H71F4O4S5+5
Molecular Weight1476.90 g/mol
Exact Mass1475.39
IUPAC Name(4-fluorophenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;10-(4-methylphenyl)phenoxathiin-10-ium;4-phenoxathiin-10-ium-10-ylphenol;tris(4-fluorophenyl)sulfanium
SMILESCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Oc1ccc([S+]2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C19H15OS.C19H17OS.C18H12F3S.C18H14FS.C18H12O2S/c1-14-10-12-15(13-11-14)21-18-8-4-2-6-16(18)20-17-7-3-5-9-19(17)21;1-20-16-12-14-19(15-13-16)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18;19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;19-13-9-11-14(12-10-13)21-17-7-3-1-5-15(17)20-16-6-2-4-8-18(16)21/h2-13H,1H3;2-15H,1H3;1-12H;1-14H;1-12H/q4*+1;/p+1
InChIKeyBREVBAWFIZNJES-UHFFFAOYSA-O
XLogP24.70
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001476.90
LogP ≤ 524.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[4-Bis(4-methylphenyl)sulfoniophenoxy]phenyl]-bis(4-methylphenyl)sulfanium;bis(trifluoromethanesulfonate)
CID 21863624
Bis[2-[2-(2-ethoxyethoxy)ethoxy]phenyl]-phenylsulfanium;tetrakis[2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenyl]boranuide
CID 139829664
Tetrakis[2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenyl]boranuide;tris[2-(2-ethoxyethoxy)phenyl]sulfanium
CID 139829703
Tetrakis[2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenyl]boranuide;tris[2-(2-methoxyethoxy)phenyl]sulfanium
CID 139829746
Bis[2-[2-(2-methoxyethoxy)ethoxy]phenyl]-phenylsulfanium;tetrakis[2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenyl]boranuide
CID 139829860
10-[2,6-Difluoro-4-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]phenoxathiin-10-ium
CID 140957000
Bis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-diphenylsulfanium;tris(4-fluorophenyl)sulfanium
CID 157268031
Bis(4-tert-butylphenyl)iodanium;3-tert-butyl-10-(4-tert-butylphenyl)phenoxathiin-10-ium;3,7-ditert-butyl-10-(4-tert-butylphenyl)phenoxathiin-10-ium;diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium
CID 157529993
Bis(4-tert-butylphenyl)-phenylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium;tris(4-tert-butylphenyl)sulfanium
CID 157824487
Bis(4-methylphenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;4-fluoro-2-methoxyperoxysulfanyl-1-methylbenzene;(4-hydroxyphenyl)-diphenylsulfanium;1-methoxyperoxysulfanyl-3,5-bis(trifluoromethyl)benzene;1-methoxyperoxysulfanyl-2-(trifluoromethyl)benzene;1-methoxyperoxysulfanyl-4-(trifluoromethyl)benzene;triphenylsulfanium
CID 157863833
(4-Butoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate;1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethanesulfonate
CID 158128673
1-Fluoro-4-(4-fluorophenyl)sulfanylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-4-(4-methylphenyl)sulfanylbenzene;tetrahydrofluoride
CID 158293714

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;10-(4-methylphenyl)phenoxathiin-10-ium;4-phenoxathiin-10-ium-10-ylphenol;tris(4-fluorophenyl)sulfanium?
The IUPAC name of (4-fluorophenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;10-(4-methylphenyl)phenoxathiin-10-ium;4-phenoxathiin-10-ium-10-ylphenol;tris(4-fluorophenyl)sulfanium (CID 157436751) is (4-fluorophenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;10-(4-methylphenyl)phenoxathiin-10-ium;4-phenoxathiin-10-ium-10-ylphenol;tris(4-fluorophenyl)sulfanium.
What is the SMILES notation for (4-fluorophenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;10-(4-methylphenyl)phenoxathiin-10-ium;4-phenoxathiin-10-ium-10-ylphenol;tris(4-fluorophenyl)sulfanium?
The canonical SMILES for (4-fluorophenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;10-(4-methylphenyl)phenoxathiin-10-ium;4-phenoxathiin-10-ium-10-ylphenol;tris(4-fluorophenyl)sulfanium is COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Oc1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of (4-fluorophenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;10-(4-methylphenyl)phenoxathiin-10-ium;4-phenoxathiin-10-ium-10-ylphenol;tris(4-fluorophenyl)sulfanium?
The InChIKey is BREVBAWFIZNJES-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H15OS.C19H17OS.C18H12F3S.C18H14FS.C18H12O2S/c1-14-10-12-15(13-11-14)21-18-8-4-2-6-16(18)20-17-7-3-5-9-19(17)21;1-20-16-12-14-19(15-13-16)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18;19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;19-13-9-11-14(12-10-13)21-17-7-3-1-5-15(17)20-16-6-2-4-8-18(16)21/h2-13H,1H3;2-15H,1H3;1-12H;1-14H;1-12H/q4*+1;/p+1.
What are the key properties of (4-fluorophenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;10-(4-methylphenyl)phenoxathiin-10-ium;4-phenoxathiin-10-ium-10-ylphenol;tris(4-fluorophenyl)sulfanium?
(4-fluorophenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;10-(4-methylphenyl)phenoxathiin-10-ium;4-phenoxathiin-10-ium-10-ylphenol;tris(4-fluorophenyl)sulfanium has a molecular weight of 1476.90 g/mol, XLogP of 24.70, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;10-(4-methylphenyl)phenoxathiin-10-ium;4-phenoxathiin-10-ium-10-ylphenol;tris(4-fluorophenyl)sulfanium is sourced from PubChem (CID 157436751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).