1-methyl-3,5-bis(trifluoromethyl)benzene;(4-methylphenyl)-diphenylsulfanium;2-methyl-1,3,5-tri(propan-2-yl)benzene;bis(1,3,5-tricyclohexyl-2-methylbenzene);tris(triphenylsulfanium);tris(3-methoxyphenyl)sulfanium

C169H191F6O3S5+5 — CID 158906911

IUPAC1-methyl-3,5-bis(trifluoromethyl)benzene;(4-methylphenyl)-diphenylsulfanium;2-methyl-1,3,5-tri(propan-2-yl)benzene;bis(1,3,5-tricyclohexyl-2-methylbenzene);tris(triphenylsulfanium);tris(3-methoxyphenyl)sulfanium
SMILESCOc1cccc([S+](c2cccc(OC)c2)c2cccc(OC)c2)c1.Cc1c(C(C)C)cc(C(C)C)cc1C(C)C.Cc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.Cc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C25H38.C21H21O3S.C19H17S.3C18H15S.C16H26.C9H6F6/c2*1-19-24(21-13-7-3-8-14-21)17-23(20-11-5-2-6-12-20)18-25(19)22-15-9-4-10-16-22;1-22-16-7-4-10-19(13-16)25(20-11-5-8-17(14-20)23-2)21-12-6-9-18(15-21)24-3;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10(2)14-8-15(11(3)4)13(7)16(9-14)12(5)6;1-5-2-6(8(10,11)12)4-7(3-5)9(13,14)15/h2*17-18,20-22H,2-16H2,1H3;4-15H,1-3H3;2-15H,1H3;3*1-15H;8-12H,1-7H3;2-4H,1H3/q;;5*+1;;
InChIKeyJGDRZSASDKALPS-UHFFFAOYSA-N
MW2544.71 g/mol
LogP49.92
Rot. Bonds27

About 1-methyl-3,5-bis(trifluoromethyl)benzene;(4-methylphenyl)-diphenylsulfanium;2-methyl-1,3,5-tri(propan-2-yl)benzene;bis(1,3,5-tricyclohexyl-2-methylbenzene);tris(triphenylsulfanium);tris(3-methoxyphenyl)sulfanium

1-methyl-3,5-bis(trifluoromethyl)benzene;(4-methylphenyl)-diphenylsulfanium;2-methyl-1,3,5-tri(propan-2-yl)benzene;bis(1,3,5-tricyclohexyl-2-methylbenzene);tris(triphenylsulfanium);tris(3-methoxyphenyl)sulfanium (PubChem CID 158906911) has the molecular formula C169H191F6O3S5+5 and a molecular weight of 2544.71 g/mol. Its IUPAC name is 1-methyl-3,5-bis(trifluoromethyl)benzene;(4-methylphenyl)-diphenylsulfanium;2-methyl-1,3,5-tri(propan-2-yl)benzene;bis(1,3,5-tricyclohexyl-2-methylbenzene);tris(triphenylsulfanium);tris(3-methoxyphenyl)sulfanium.

Molecular Properties

Compound Name1-methyl-3,5-bis(trifluoromethyl)benzene;(4-methylphenyl)-diphenylsulfanium;2-methyl-1,3,5-tri(propan-2-yl)benzene;bis(1,3,5-tricyclohexyl-2-methylbenzene);tris(triphenylsulfanium);tris(3-methoxyphenyl)sulfanium
PubChem CID158906911
Molecular FormulaC169H191F6O3S5+5
Molecular Weight2544.71 g/mol
Exact Mass2542.33
IUPAC Name1-methyl-3,5-bis(trifluoromethyl)benzene;(4-methylphenyl)-diphenylsulfanium;2-methyl-1,3,5-tri(propan-2-yl)benzene;bis(1,3,5-tricyclohexyl-2-methylbenzene);tris(triphenylsulfanium);tris(3-methoxyphenyl)sulfanium
SMILESCOc1cccc([S+](c2cccc(OC)c2)c2cccc(OC)c2)c1.Cc1c(C(C)C)cc(C(C)C)cc1C(C)C.Cc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.Cc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C25H38.C21H21O3S.C19H17S.3C18H15S.C16H26.C9H6F6/c2*1-19-24(21-13-7-3-8-14-21)17-23(20-11-5-2-6-12-20)18-25(19)22-15-9-4-10-16-22;1-22-16-7-4-10-19(13-16)25(20-11-5-8-17(14-20)23-2)21-12-6-9-18(15-21)24-3;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10(2)14-8-15(11(3)4)13(7)16(9-14)12(5)6;1-5-2-6(8(10,11)12)4-7(3-5)9(13,14)15/h2*17-18,20-22H,2-16H2,1H3;4-15H,1-3H3;2-15H,1H3;3*1-15H;8-12H,1-7H3;2-4H,1H3/q;;5*+1;;
InChIKeyJGDRZSASDKALPS-UHFFFAOYSA-N
XLogP49.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds27
Heavy Atoms183
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002544.71
LogP ≤ 549.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methyl-3,5-bis(trifluoromethyl)benzene;(4-methylphenyl)-diphenylsulfanium;2-methyl-1,3,5-tri(propan-2-yl)benzene;bis(1,3,5-tricyclohexyl-2-methylbenzene);tris(triphenylsulfanium);tris(3-methoxyphenyl)sulfanium with MolForge

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Related Compounds

2-(4-Methylcyclohexa-1,4-dien-1-yl)sulfanyl-10,11-bis[(4-methylphenyl)sulfanyl]-3,6,7-tris[[4-(trifluoromethoxy)phenyl]sulfanyl]triphenylene
CID 20661291
Bis(4-methoxyphenyl)-phenylsulfanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 23132943
(3-Methoxyphenyl)-diphenylsulfanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 23133143
(4-Methoxyphenyl)-diphenylsulfanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 23133212
1-[1,1,1,3,3,3-Hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
CID 53787001
2,3,6-Tris[(4-methylphenyl)sulfanyl]-7,10,11-tris[[4-(trifluoromethoxy)phenyl]sulfanyl]triphenylene
CID 53957590
4-[4-[Difluoro-(4-pentylphenyl)methoxy]phenyl]-1-[4-(4-ethylsulfanylphenyl)-3-fluorophenyl]-2-fluorobenzene
CID 59328097
5-[4-[4-(4-Butylsulfanylphenyl)-2-fluorophenyl]-2-fluorophenyl]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene
CID 59328911
5-[4-[4-[Difluoro-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]methoxy]-2-fluorophenyl]-2-fluorophenyl]-2-ethylsulfanyl-1,3-difluorobenzene
CID 59329610
2-[[4-(4-Ethylsulfanyl-3,5-difluorophenyl)-3-fluorophenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene
CID 59329747
2-[[4-[4-(4-Ethylsulfanylphenyl)-3-fluorophenyl]-3-fluorophenoxy]-difluoromethyl]-1,3-difluoro-5-(4-pentylphenyl)benzene
CID 59329788
1-[[4-(4-Ethylsulfanylphenyl)-3-fluorophenoxy]-difluoromethyl]-2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene
CID 59329949

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,5-bis(trifluoromethyl)benzene;(4-methylphenyl)-diphenylsulfanium;2-methyl-1,3,5-tri(propan-2-yl)benzene;bis(1,3,5-tricyclohexyl-2-methylbenzene);tris(triphenylsulfanium);tris(3-methoxyphenyl)sulfanium?
The IUPAC name of 1-methyl-3,5-bis(trifluoromethyl)benzene;(4-methylphenyl)-diphenylsulfanium;2-methyl-1,3,5-tri(propan-2-yl)benzene;bis(1,3,5-tricyclohexyl-2-methylbenzene);tris(triphenylsulfanium);tris(3-methoxyphenyl)sulfanium (CID 158906911) is 1-methyl-3,5-bis(trifluoromethyl)benzene;(4-methylphenyl)-diphenylsulfanium;2-methyl-1,3,5-tri(propan-2-yl)benzene;bis(1,3,5-tricyclohexyl-2-methylbenzene);tris(triphenylsulfanium);tris(3-methoxyphenyl)sulfanium.
What is the SMILES notation for 1-methyl-3,5-bis(trifluoromethyl)benzene;(4-methylphenyl)-diphenylsulfanium;2-methyl-1,3,5-tri(propan-2-yl)benzene;bis(1,3,5-tricyclohexyl-2-methylbenzene);tris(triphenylsulfanium);tris(3-methoxyphenyl)sulfanium?
The canonical SMILES for 1-methyl-3,5-bis(trifluoromethyl)benzene;(4-methylphenyl)-diphenylsulfanium;2-methyl-1,3,5-tri(propan-2-yl)benzene;bis(1,3,5-tricyclohexyl-2-methylbenzene);tris(triphenylsulfanium);tris(3-methoxyphenyl)sulfanium is COc1cccc([S+](c2cccc(OC)c2)c2cccc(OC)c2)c1.Cc1c(C(C)C)cc(C(C)C)cc1C(C)C.Cc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.Cc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-methyl-3,5-bis(trifluoromethyl)benzene;(4-methylphenyl)-diphenylsulfanium;2-methyl-1,3,5-tri(propan-2-yl)benzene;bis(1,3,5-tricyclohexyl-2-methylbenzene);tris(triphenylsulfanium);tris(3-methoxyphenyl)sulfanium?
The InChIKey is JGDRZSASDKALPS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H38.C21H21O3S.C19H17S.3C18H15S.C16H26.C9H6F6/c2*1-19-24(21-13-7-3-8-14-21)17-23(20-11-5-2-6-12-20)18-25(19)22-15-9-4-10-16-22;1-22-16-7-4-10-19(13-16)25(20-11-5-8-17(14-20)23-2)21-12-6-9-18(15-21)24-3;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10(2)14-8-15(11(3)4)13(7)16(9-14)12(5)6;1-5-2-6(8(10,11)12)4-7(3-5)9(13,14)15/h2*17-18,20-22H,2-16H2,1H3;4-15H,1-3H3;2-15H,1H3;3*1-15H;8-12H,1-7H3;2-4H,1H3/q;;5*+1;;.
What are the key properties of 1-methyl-3,5-bis(trifluoromethyl)benzene;(4-methylphenyl)-diphenylsulfanium;2-methyl-1,3,5-tri(propan-2-yl)benzene;bis(1,3,5-tricyclohexyl-2-methylbenzene);tris(triphenylsulfanium);tris(3-methoxyphenyl)sulfanium?
1-methyl-3,5-bis(trifluoromethyl)benzene;(4-methylphenyl)-diphenylsulfanium;2-methyl-1,3,5-tri(propan-2-yl)benzene;bis(1,3,5-tricyclohexyl-2-methylbenzene);tris(triphenylsulfanium);tris(3-methoxyphenyl)sulfanium has a molecular weight of 2544.71 g/mol, XLogP of 49.92, 27 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,5-bis(trifluoromethyl)benzene;(4-methylphenyl)-diphenylsulfanium;2-methyl-1,3,5-tri(propan-2-yl)benzene;bis(1,3,5-tricyclohexyl-2-methylbenzene);tris(triphenylsulfanium);tris(3-methoxyphenyl)sulfanium is sourced from PubChem (CID 158906911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).