(4-cyclohexylphenyl)-diphenylsulfanium;2-(2-fluoro-4-methoxyphenyl)-3H-pyrrole;2-[2-hydroxyethyl(methyl)amino]ethanol;methane;bis(methylcyclohexane);1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;tris(triphenylsulfanium);dibromide

C135H160Br2FN3O4S6+4 — CID 159809849

IUPAC(4-cyclohexylphenyl)-diphenylsulfanium;2-(2-fluoro-4-methoxyphenyl)-3H-pyrrole;2-[2-hydroxyethyl(methyl)amino]ethanol;methane;bis(methylcyclohexane);1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;tris(triphenylsulfanium);dibromide
SMILESC.C.CC1CCCCC1.CC1CCCCC1.CN(CCO)CCO.COc1ccc(C2=NC=CC2)c(F)c1.Cn1cc([S+]2CCCC2)c2ccccc21.O=C(C[S+]1CCCC1)c1ccccc1.[Br-].[Br-].c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H25S.3C18H15S.C13H16NS.C12H15OS.C11H10FNO.2C7H14.C5H13NO2.2CH4.2BrH/c1-4-10-20(11-5-1)21-16-18-24(19-17-21)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;1-14-8-4-5-9(10(12)7-8)11-3-2-6-13-11;2*1-7-5-3-2-4-6-7;1-6(2-4-7)3-5-8;;;;/h2-3,6-9,12-20H,1,4-5,10-11H2;3*1-15H;2-3,6-7,10H,4-5,8-9H2,1H3;1-3,6-7H,4-5,8-10H2;2,4-7H,3H2,1H3;2*7H,2-6H2,1H3;7-8H,2-5H2,1H3;2*1H4;2*1H/q6*+1;;;;;;;;/p-2
InChIKeyONEDVSASQAAANT-UHFFFAOYSA-L
MW2259.99 g/mol
LogP28.30
Rot. Bonds23

About (4-cyclohexylphenyl)-diphenylsulfanium;2-(2-fluoro-4-methoxyphenyl)-3H-pyrrole;2-[2-hydroxyethyl(methyl)amino]ethanol;methane;bis(methylcyclohexane);1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;tris(triphenylsulfanium);dibromide

(4-cyclohexylphenyl)-diphenylsulfanium;2-(2-fluoro-4-methoxyphenyl)-3H-pyrrole;2-[2-hydroxyethyl(methyl)amino]ethanol;methane;bis(methylcyclohexane);1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;tris(triphenylsulfanium);dibromide (PubChem CID 159809849) has the molecular formula C135H160Br2FN3O4S6+4 and a molecular weight of 2259.99 g/mol. Its IUPAC name is (4-cyclohexylphenyl)-diphenylsulfanium;2-(2-fluoro-4-methoxyphenyl)-3H-pyrrole;2-[2-hydroxyethyl(methyl)amino]ethanol;methane;bis(methylcyclohexane);1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;tris(triphenylsulfanium);dibromide.

Molecular Properties

Compound Name(4-cyclohexylphenyl)-diphenylsulfanium;2-(2-fluoro-4-methoxyphenyl)-3H-pyrrole;2-[2-hydroxyethyl(methyl)amino]ethanol;methane;bis(methylcyclohexane);1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;tris(triphenylsulfanium);dibromide
PubChem CID159809849
Molecular FormulaC135H160Br2FN3O4S6+4
Molecular Weight2259.99 g/mol
Exact Mass2255.91
IUPAC Name(4-cyclohexylphenyl)-diphenylsulfanium;2-(2-fluoro-4-methoxyphenyl)-3H-pyrrole;2-[2-hydroxyethyl(methyl)amino]ethanol;methane;bis(methylcyclohexane);1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;tris(triphenylsulfanium);dibromide
SMILESC.C.CC1CCCCC1.CC1CCCCC1.CN(CCO)CCO.COc1ccc(C2=NC=CC2)c(F)c1.Cn1cc([S+]2CCCC2)c2ccccc21.O=C(C[S+]1CCCC1)c1ccccc1.[Br-].[Br-].c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H25S.3C18H15S.C13H16NS.C12H15OS.C11H10FNO.2C7H14.C5H13NO2.2CH4.2BrH/c1-4-10-20(11-5-1)21-16-18-24(19-17-21)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;1-14-8-4-5-9(10(12)7-8)11-3-2-6-13-11;2*1-7-5-3-2-4-6-7;1-6(2-4-7)3-5-8;;;;/h2-3,6-9,12-20H,1,4-5,10-11H2;3*1-15H;2-3,6-7,10H,4-5,8-9H2,1H3;1-3,6-7H,4-5,8-10H2;2,4-7H,3H2,1H3;2*7H,2-6H2,1H3;7-8H,2-5H2,1H3;2*1H4;2*1H/q6*+1;;;;;;;;/p-2
InChIKeyONEDVSASQAAANT-UHFFFAOYSA-L
XLogP28.30
TPSA87.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds23
Heavy Atoms151
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002259.99
LogP ≤ 528.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (4-cyclohexylphenyl)-diphenylsulfanium;2-(2-fluoro-4-methoxyphenyl)-3H-pyrrole;2-[2-hydroxyethyl(methyl)amino]ethanol;methane;bis(methylcyclohexane);1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;tris(triphenylsulfanium);dibromide with MolForge

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Related Compounds

(4-cyclohexylphenyl)-diphenylsulfanium;bis(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-lambda4-sulfane;2-(2-fluoro-4-methoxyphenyl)-3H-pyrrole;bis(2-[2-hydroxyethyl(methyl)amino]ethanol);bis(methylcyclohexane);(4-methylphenyl)-diphenylsulfanium;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);4-oxidooxymorpholine;bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);bis(1,1,4-trimethylpiperazin-1-ium);pentakis(triphenylsulfanium);tetrabromide
CID 157638219
1-(4-Cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;(1-methylindol-3-yl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-methyl-3-(thiolan-1-ium-1-yl)indole;5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone
CID 158354680
(4-butan-2-ylphenyl)-[4-(2-methylbutan-2-yl)phenyl]iodanium;(4-cyclohexylphenyl)-diphenylsulfanium;1,4-dimethylpiperazine;2-(2-fluoro-4-methoxyphenyl)-3H-pyrrole;2-[2-hydroxyethyl(methyl)amino]ethanol;1-(4-methoxyphenyl)piperidine;1-methyl-3-(thiolan-1-ium-1-yl)indole;triphenylsulfanium
CID 158448467
(4-Ethoxyphenyl)-phenylmethanone;3-methylaniline;9-methylcarbazole;3-methyl-2,5-dithiophen-2-ylthiophene;1-methylpyrrole;3-methylthiophene
CID 158503835
bis[4-(2-methylbutan-2-yl)phenyl]iodanium;bis((4-cyclohexylphenyl)-diphenylsulfanium);1,4-dimethylpiperazine;2-(2-fluoro-4-methoxyphenyl)-3H-pyrrole;2-[2-hydroxyethyl(methyl)amino]ethanol;1-(4-methoxyphenyl)piperidine;methylcyclohexane;1-methyl-3-(thiolan-1-ium-1-yl)indole;triphenylsulfanium
CID 159227697
(4-cyclohexylphenyl)-diphenylsulfanium;bis(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-lambda4-sulfane;2-(2-fluoro-4-methoxyphenyl)-3H-pyrrole;bis(2-[2-hydroxyethyl(methyl)amino]ethanol);bis(methylcyclohexane);(4-methylphenyl)-diphenylsulfanium;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);4-oxidoperoxymorpholine;bis(3-oxidoperoxysulfanylpropan-1-amine);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);bis(1,1,4-trimethylpiperazin-1-ium);pentakis(triphenylsulfanium);tetrabromide
CID 160136736
bis((4-cyclohexylphenyl)-diphenylsulfanium);2-(2-fluoro-4-methoxyphenyl)-3H-pyrrole;2-[2-hydroxyethyl(methyl)amino]ethanol;methane;1-(4-methoxyphenyl)piperidine;methylcyclohexane;1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;triphenylsulfanium;bromide
CID 160173611
(4-cyclohexylphenyl)-diphenylsulfanium;bis(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-lambda4-sulfane;2-(2-fluoro-4-methoxyphenyl)-3H-pyrrole;bis(2-[2-hydroxyethyl(methyl)amino]ethanol);methane;bis(methylcyclohexane);(4-methylphenyl)-diphenylsulfanium;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);4-oxidoperoxymorpholine;bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);bis(1,1,4-trimethylpiperazin-1-ium);pentakis(triphenylsulfanium);tetrabromide
CID 160563245
bis((4-cyclohexylphenyl)-diphenylsulfanium);1,4-dimethylpiperazine;4-(2-fluoro-4-methoxyphenyl)-3H-pyrrole;2-[2-hydroxyethyl(methyl)amino]ethanol;1-(4-methoxyphenyl)piperidine;[4-(2-methylbutan-2-yl)phenyl]iodanium;methylcyclohexane;1-methyl-3-(thiolan-1-ium-1-yl)indole;triphenylsulfanium
CID 161654603
(4-cyclohexylphenyl)-diphenylsulfanium;2-(2-fluoro-4-methoxyphenyl)-3H-pyrrole;2-[2-hydroxyethyl(methyl)amino]ethanol;methylcyclohexane;1-methyl-3-(thiolan-1-ium-1-yl)indole;triphenylsulfanium
CID 164977036
(4-cyclohexylphenyl)-diphenylsulfanium;2-(2-fluoro-4-methoxyphenyl)-3H-pyrrole;2-[2-hydroxyethyl(methyl)amino]ethanol;methane;methylcyclohexane;1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;triphenylsulfanium;bromide
CID 165032181

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylphenyl)-diphenylsulfanium;2-(2-fluoro-4-methoxyphenyl)-3H-pyrrole;2-[2-hydroxyethyl(methyl)amino]ethanol;methane;bis(methylcyclohexane);1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;tris(triphenylsulfanium);dibromide?
The IUPAC name of (4-cyclohexylphenyl)-diphenylsulfanium;2-(2-fluoro-4-methoxyphenyl)-3H-pyrrole;2-[2-hydroxyethyl(methyl)amino]ethanol;methane;bis(methylcyclohexane);1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;tris(triphenylsulfanium);dibromide (CID 159809849) is (4-cyclohexylphenyl)-diphenylsulfanium;2-(2-fluoro-4-methoxyphenyl)-3H-pyrrole;2-[2-hydroxyethyl(methyl)amino]ethanol;methane;bis(methylcyclohexane);1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;tris(triphenylsulfanium);dibromide.
What is the SMILES notation for (4-cyclohexylphenyl)-diphenylsulfanium;2-(2-fluoro-4-methoxyphenyl)-3H-pyrrole;2-[2-hydroxyethyl(methyl)amino]ethanol;methane;bis(methylcyclohexane);1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;tris(triphenylsulfanium);dibromide?
The canonical SMILES for (4-cyclohexylphenyl)-diphenylsulfanium;2-(2-fluoro-4-methoxyphenyl)-3H-pyrrole;2-[2-hydroxyethyl(methyl)amino]ethanol;methane;bis(methylcyclohexane);1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;tris(triphenylsulfanium);dibromide is C.C.CC1CCCCC1.CC1CCCCC1.CN(CCO)CCO.COc1ccc(C2=NC=CC2)c(F)c1.Cn1cc([S+]2CCCC2)c2ccccc21.O=C(C[S+]1CCCC1)c1ccccc1.[Br-].[Br-].c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-cyclohexylphenyl)-diphenylsulfanium;2-(2-fluoro-4-methoxyphenyl)-3H-pyrrole;2-[2-hydroxyethyl(methyl)amino]ethanol;methane;bis(methylcyclohexane);1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;tris(triphenylsulfanium);dibromide?
The InChIKey is ONEDVSASQAAANT-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H25S.3C18H15S.C13H16NS.C12H15OS.C11H10FNO.2C7H14.C5H13NO2.2CH4.2BrH/c1-4-10-20(11-5-1)21-16-18-24(19-17-21)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;1-14-8-4-5-9(10(12)7-8)11-3-2-6-13-11;2*1-7-5-3-2-4-6-7;1-6(2-4-7)3-5-8;;;;/h2-3,6-9,12-20H,1,4-5,10-11H2;3*1-15H;2-3,6-7,10H,4-5,8-9H2,1H3;1-3,6-7H,4-5,8-10H2;2,4-7H,3H2,1H3;2*7H,2-6H2,1H3;7-8H,2-5H2,1H3;2*1H4;2*1H/q6*+1;;;;;;;;/p-2.
What are the key properties of (4-cyclohexylphenyl)-diphenylsulfanium;2-(2-fluoro-4-methoxyphenyl)-3H-pyrrole;2-[2-hydroxyethyl(methyl)amino]ethanol;methane;bis(methylcyclohexane);1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;tris(triphenylsulfanium);dibromide?
(4-cyclohexylphenyl)-diphenylsulfanium;2-(2-fluoro-4-methoxyphenyl)-3H-pyrrole;2-[2-hydroxyethyl(methyl)amino]ethanol;methane;bis(methylcyclohexane);1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;tris(triphenylsulfanium);dibromide has a molecular weight of 2259.99 g/mol, XLogP of 28.30, 23 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylphenyl)-diphenylsulfanium;2-(2-fluoro-4-methoxyphenyl)-3H-pyrrole;2-[2-hydroxyethyl(methyl)amino]ethanol;methane;bis(methylcyclohexane);1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;tris(triphenylsulfanium);dibromide is sourced from PubChem (CID 159809849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).