(4-cyclohexylphenyl)-diphenylsulfanium;bis(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-λ4-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

C263H346Br4FN14O13S13+9 — CID 160563245

IUPAC(4-cyclohexylphenyl)-diphenylsulfanium;bis(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-λ4-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
SMILESC.C.C=CS(=C)O.CC(C)(C)C(=O)C[S+]1CCCC1.CC1CCCCC1.CC1CCCCC1.CN(CCO)CCO.CN(CCO)CCO.CN1CCN(C)CC1.CN1CCN(C)CC1.CN1CC[N+](C)(C)CC1.CN1CC[N+](C)(C)CC1.COc1ccc(C2=NC=CC2)c(F)c1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cn1cc([S+]2CCCC2)c2ccccc21.Cn1cc([S+]2CCCC2)c2ccccc21.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.[Br-].[Br-].[Br-].[Br-].[O-]OON1CCOCC1.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H25S.C19H17S.5C18H15S.2C13H16NS.2C12H15OS.C11H10FNO.C10H19OS.2C7H17N2.2C7H14.2C6H14N2.2C5H13NO2.C4H9NO4.C3H6OS.2CH4.4BrH/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;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;5*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;2*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;1-10(2,3)9(11)8-12-6-4-5-7-12;2*1-8-4-6-9(2,3)7-5-8;2*1-7-5-3-2-4-6-7;2*1-7-3-5-8(2)6-4-7;2*1-6(2-4-7)3-5-8;6-9-8-5-1-3-7-4-2-5;1-3-5(2)4;;;;;;/h2-3,6-9,12-20H,1,4-5,10-11H2;2-15H,1H3;5*1-15H;2*2-3,6-7,10H,4-5,8-9H2,1H3;2*1-3,6-7H,4-5,8-10H2;2,4-7H,3H2,1H3;4-8H2,1-3H3;2*4-7H2,1-3H3;2*7H,2-6H2,1H3;2*3-6H2,1-2H3;2*7-8H,2-5H2,1H3;6H,1-4H2;3-4H,1-2H2;2*1H4;4*1H/q11*+1;;3*+1;;;;;;;;;;;;;;/p-5
InChIKeyDVRQXXVTLNATIW-UHFFFAOYSA-I
MW4667.23 g/mol
LogP42.62
Rot. Bonds45

About (4-cyclohexylphenyl)-diphenylsulfanium;bis(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-λ4-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

(4-cyclohexylphenyl)-diphenylsulfanium;bis(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-λ4-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 (PubChem CID 160563245) has the molecular formula C263H346Br4FN14O13S13+9 and a molecular weight of 4667.23 g/mol. Its IUPAC name is (4-cyclohexylphenyl)-diphenylsulfanium;bis(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-λ4-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.

Molecular Properties

Compound Name(4-cyclohexylphenyl)-diphenylsulfanium;bis(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-λ4-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
PubChem CID160563245
Molecular FormulaC263H346Br4FN14O13S13+9
Molecular Weight4667.23 g/mol
Exact Mass4658.99
IUPAC Name(4-cyclohexylphenyl)-diphenylsulfanium;bis(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-λ4-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
SMILESC.C.C=CS(=C)O.CC(C)(C)C(=O)C[S+]1CCCC1.CC1CCCCC1.CC1CCCCC1.CN(CCO)CCO.CN(CCO)CCO.CN1CCN(C)CC1.CN1CCN(C)CC1.CN1CC[N+](C)(C)CC1.CN1CC[N+](C)(C)CC1.COc1ccc(C2=NC=CC2)c(F)c1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cn1cc([S+]2CCCC2)c2ccccc21.Cn1cc([S+]2CCCC2)c2ccccc21.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.[Br-].[Br-].[Br-].[Br-].[O-]OON1CCOCC1.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H25S.C19H17S.5C18H15S.2C13H16NS.2C12H15OS.C11H10FNO.C10H19OS.2C7H17N2.2C7H14.2C6H14N2.2C5H13NO2.C4H9NO4.C3H6OS.2CH4.4BrH/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;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;5*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;2*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;1-10(2,3)9(11)8-12-6-4-5-7-12;2*1-8-4-6-9(2,3)7-5-8;2*1-7-5-3-2-4-6-7;2*1-7-3-5-8(2)6-4-7;2*1-6(2-4-7)3-5-8;6-9-8-5-1-3-7-4-2-5;1-3-5(2)4;;;;;;/h2-3,6-9,12-20H,1,4-5,10-11H2;2-15H,1H3;5*1-15H;2*2-3,6-7,10H,4-5,8-9H2,1H3;2*1-3,6-7H,4-5,8-10H2;2,4-7H,3H2,1H3;4-8H2,1-3H3;2*4-7H2,1-3H3;2*7H,2-6H2,1H3;2*3-6H2,1-2H3;2*7-8H,2-5H2,1H3;6H,1-4H2;3-4H,1-2H2;2*1H4;4*1H/q11*+1;;3*+1;;;;;;;;;;;;;;/p-5
InChIKeyDVRQXXVTLNATIW-UHFFFAOYSA-I
XLogP42.62
TPSA263.72 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds45
Heavy Atoms308
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004667.23
LogP ≤ 542.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze (4-cyclohexylphenyl)-diphenylsulfanium;bis(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-λ4-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylphenyl)-diphenylsulfanium;bis(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-λ4-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?
The IUPAC name of (4-cyclohexylphenyl)-diphenylsulfanium;bis(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-λ4-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) is (4-cyclohexylphenyl)-diphenylsulfanium;bis(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-λ4-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.
What is the SMILES notation for (4-cyclohexylphenyl)-diphenylsulfanium;bis(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-λ4-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?
The canonical SMILES for (4-cyclohexylphenyl)-diphenylsulfanium;bis(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-λ4-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 is C.C.C=CS(=C)O.CC(C)(C)C(=O)C[S+]1CCCC1.CC1CCCCC1.CC1CCCCC1.CN(CCO)CCO.CN(CCO)CCO.CN1CCN(C)CC1.CN1CCN(C)CC1.CN1CC[N+](C)(C)CC1.CN1CC[N+](C)(C)CC1.COc1ccc(C2=NC=CC2)c(F)c1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cn1cc([S+]2CCCC2)c2ccccc21.Cn1cc([S+]2CCCC2)c2ccccc21.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.[Br-].[Br-].[Br-].[Br-].[O-]OON1CCOCC1.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-cyclohexylphenyl)-diphenylsulfanium;bis(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-λ4-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?
The InChIKey is DVRQXXVTLNATIW-UHFFFAOYSA-I. The full InChI is InChI=1S/C24H25S.C19H17S.5C18H15S.2C13H16NS.2C12H15OS.C11H10FNO.C10H19OS.2C7H17N2.2C7H14.2C6H14N2.2C5H13NO2.C4H9NO4.C3H6OS.2CH4.4BrH/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;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;5*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;2*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;1-10(2,3)9(11)8-12-6-4-5-7-12;2*1-8-4-6-9(2,3)7-5-8;2*1-7-5-3-2-4-6-7;2*1-7-3-5-8(2)6-4-7;2*1-6(2-4-7)3-5-8;6-9-8-5-1-3-7-4-2-5;1-3-5(2)4;;;;;;/h2-3,6-9,12-20H,1,4-5,10-11H2;2-15H,1H3;5*1-15H;2*2-3,6-7,10H,4-5,8-9H2,1H3;2*1-3,6-7H,4-5,8-10H2;2,4-7H,3H2,1H3;4-8H2,1-3H3;2*4-7H2,1-3H3;2*7H,2-6H2,1H3;2*3-6H2,1-2H3;2*7-8H,2-5H2,1H3;6H,1-4H2;3-4H,1-2H2;2*1H4;4*1H/q11*+1;;3*+1;;;;;;;;;;;;;;/p-5.
What are the key properties of (4-cyclohexylphenyl)-diphenylsulfanium;bis(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-λ4-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?
(4-cyclohexylphenyl)-diphenylsulfanium;bis(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-λ4-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 has a molecular weight of 4667.23 g/mol, XLogP of 42.62, 45 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylphenyl)-diphenylsulfanium;bis(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-λ4-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 is sourced from PubChem (CID 160563245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).