bis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-diphenylsulfanium;tris(4-fluorophenyl)sulfanium

C95H76F9OS5+5 — CID 157268031

IUPACbis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-diphenylsulfanium;tris(4-fluorophenyl)sulfanium
SMILESCCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.FC(F)(F)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccc(F)cc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H23OS.C19H14F3S.C18H12F3S.C18H13F2S.C18H14FS/c1-2-3-18-23-19-14-16-22(17-15-19)24(20-10-6-4-7-11-20)21-12-8-5-9-13-21;20-19(21,22)15-11-13-18(14-12-15)23(16-7-3-1-4-8-16)17-9-5-2-6-10-17;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;19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h4-17H,2-3,18H2,1H3;1-14H;1-12H;1-13H;1-14H/q5*+1
InChIKeyAYFHJAIKPXTLLV-UHFFFAOYSA-N
MW1564.97 g/mol
LogP26.94
Rot. Bonds19

About bis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-diphenylsulfanium;tris(4-fluorophenyl)sulfanium

bis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-diphenylsulfanium;tris(4-fluorophenyl)sulfanium (PubChem CID 157268031) has the molecular formula C95H76F9OS5+5 and a molecular weight of 1564.97 g/mol. Its IUPAC name is bis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-diphenylsulfanium;tris(4-fluorophenyl)sulfanium.

Molecular Properties

Compound Namebis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-diphenylsulfanium;tris(4-fluorophenyl)sulfanium
PubChem CID157268031
Molecular FormulaC95H76F9OS5+5
Molecular Weight1564.97 g/mol
Exact Mass1563.43
IUPAC Namebis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-diphenylsulfanium;tris(4-fluorophenyl)sulfanium
SMILESCCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.FC(F)(F)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccc(F)cc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H23OS.C19H14F3S.C18H12F3S.C18H13F2S.C18H14FS/c1-2-3-18-23-19-14-16-22(17-15-19)24(20-10-6-4-7-11-20)21-12-8-5-9-13-21;20-19(21,22)15-11-13-18(14-12-15)23(16-7-3-1-4-8-16)17-9-5-2-6-10-17;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;19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h4-17H,2-3,18H2,1H3;1-14H;1-12H;1-13H;1-14H/q5*+1
InChIKeyAYFHJAIKPXTLLV-UHFFFAOYSA-N
XLogP26.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001564.97
LogP ≤ 526.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze bis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-diphenylsulfanium;tris(4-fluorophenyl)sulfanium with MolForge

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Related Compounds

Bis (4-methylphenyl)-
CID 140202473
(Trifluoromethyl)(4-((4-((trifluoromethyl)thio)benzyl)oxy)phenyl)sulfane
CID 145991728
1-Fluoro-4-[[4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonylphenoxy]methyl]benzene
CID 6481347
(Z)-(5-(4-(benzyloxy)phenyl)-1,1-difluoropent-2-en-2-yl)(4-methoxyphenyl)sulfane
CID 162623307
(R)-(5-(4-(benzyloxy)phenyl)-1,1-difluoropent-1-en-3-yl)(p-tolyl)sulfane
CID 162623312
(Z)-(5-(4-(benzyloxy)phenyl)-1,1-difluoropent-2-en-2-yl)(4-fluorophenyl)sulfane
CID 162623324
(Z)-(5-(4-(benzyloxy)phenyl)-1,1-difluoropent-2-en-2-yl)(4-(trifluoromethyl)phenyl)sulfane
CID 162623333
(R)-(5-(4-(benzyloxy)phenyl)-1,1-difluoropent-1-en-3-yl)(4-(trifluoromethyl)phenyl)sulfane
CID 162623346
(Z)-(5-(4-(benzyloxy)phenyl)-1,1-difluoropent-2-en-2-yl)(p-tolyl)sulfane
CID 162623349
1-Methyl-4-(4-phenoxyphenyl)sulfanylbenzene
CID 85819915
1-(1,1,2,2,3,3,4,4,4-Nonafluorobutyl)-3-[3-[4-[3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]sulfanylphenoxy]phenyl]sulfanylbenzene
CID 19733999
[4-[4-Bis(4-methylphenyl)sulfoniophenoxy]phenyl]-bis(4-methylphenyl)sulfanium;bis(trifluoromethanesulfonate)
CID 21863624

Frequently Asked Questions

What is the IUPAC name of bis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-diphenylsulfanium;tris(4-fluorophenyl)sulfanium?
The IUPAC name of bis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-diphenylsulfanium;tris(4-fluorophenyl)sulfanium (CID 157268031) is bis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-diphenylsulfanium;tris(4-fluorophenyl)sulfanium.
What is the SMILES notation for bis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-diphenylsulfanium;tris(4-fluorophenyl)sulfanium?
The canonical SMILES for bis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-diphenylsulfanium;tris(4-fluorophenyl)sulfanium is CCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.FC(F)(F)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccc(F)cc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-diphenylsulfanium;tris(4-fluorophenyl)sulfanium?
The InChIKey is AYFHJAIKPXTLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23OS.C19H14F3S.C18H12F3S.C18H13F2S.C18H14FS/c1-2-3-18-23-19-14-16-22(17-15-19)24(20-10-6-4-7-11-20)21-12-8-5-9-13-21;20-19(21,22)15-11-13-18(14-12-15)23(16-7-3-1-4-8-16)17-9-5-2-6-10-17;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;19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h4-17H,2-3,18H2,1H3;1-14H;1-12H;1-13H;1-14H/q5*+1.
What are the key properties of bis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-diphenylsulfanium;tris(4-fluorophenyl)sulfanium?
bis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-diphenylsulfanium;tris(4-fluorophenyl)sulfanium has a molecular weight of 1564.97 g/mol, XLogP of 26.94, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-diphenylsulfanium;tris(4-fluorophenyl)sulfanium is sourced from PubChem (CID 157268031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).