(4-tert-butylphenyl)-diphenylsulfanium;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,3,5-tricyclohexyl-2-methylbenzene;triphenylsulfanium;tris(3-methoxyphenyl)sulfanium

C105H123F6NO7S5+2 — CID 157309653

IUPAC(4-tert-butylphenyl)-diphenylsulfanium;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,3,5-tricyclohexyl-2-methylbenzene;triphenylsulfanium;tris(3-methoxyphenyl)sulfanium
SMILESCC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.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.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H38.C22H23S.C21H21O3S.C18H15S.C16H26.C3F6NO4S2/c1-19-24(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(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;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;1-4-10-16(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;4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9/h17-18,20-22H,2-16H2,1H3;4-17H,1-3H3;4-15H,1-3H3;1-15H;8-12H,1-7H3;/q;3*+1;;-1
InChIKeyBCWVAWIFOGMYEW-UHFFFAOYSA-N
MW1785.46 g/mol
LogP30.03
Rot. Bonds18

About (4-tert-butylphenyl)-diphenylsulfanium;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,3,5-tricyclohexyl-2-methylbenzene;triphenylsulfanium;tris(3-methoxyphenyl)sulfanium

(4-tert-butylphenyl)-diphenylsulfanium;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,3,5-tricyclohexyl-2-methylbenzene;triphenylsulfanium;tris(3-methoxyphenyl)sulfanium (PubChem CID 157309653) has the molecular formula C105H123F6NO7S5+2 and a molecular weight of 1785.46 g/mol. Its IUPAC name is (4-tert-butylphenyl)-diphenylsulfanium;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,3,5-tricyclohexyl-2-methylbenzene;triphenylsulfanium;tris(3-methoxyphenyl)sulfanium.

Molecular Properties

Compound Name(4-tert-butylphenyl)-diphenylsulfanium;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,3,5-tricyclohexyl-2-methylbenzene;triphenylsulfanium;tris(3-methoxyphenyl)sulfanium
PubChem CID157309653
Molecular FormulaC105H123F6NO7S5+2
Molecular Weight1785.46 g/mol
Exact Mass1783.78
IUPAC Name(4-tert-butylphenyl)-diphenylsulfanium;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,3,5-tricyclohexyl-2-methylbenzene;triphenylsulfanium;tris(3-methoxyphenyl)sulfanium
SMILESCC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.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.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H38.C22H23S.C21H21O3S.C18H15S.C16H26.C3F6NO4S2/c1-19-24(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(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;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;1-4-10-16(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;4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9/h17-18,20-22H,2-16H2,1H3;4-17H,1-3H3;4-15H,1-3H3;1-15H;8-12H,1-7H3;/q;3*+1;;-1
InChIKeyBCWVAWIFOGMYEW-UHFFFAOYSA-N
XLogP30.03
TPSA110.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001785.46
LogP ≤ 530.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (4-tert-butylphenyl)-diphenylsulfanium;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,3,5-tricyclohexyl-2-methylbenzene;triphenylsulfanium;tris(3-methoxyphenyl)sulfanium with MolForge

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Related Compounds

[4-[4-Bis(4-tert-butylphenyl)sulfoniophenoxy]phenyl]-bis(4-tert-butylphenyl)sulfanium;bis(trifluoromethanesulfonate)
CID 21863642
[4-[4-Bis(4-tert-butylphenyl)sulfoniophenoxy]phenyl]-bis(4-tert-butylphenyl)sulfanium;bis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate)
CID 21863671
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-Fluoro-4-[4-[4-[3-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]phenyl]sulfonylphenyl]-1-(5-fluoro-2-methoxyphenyl)benzene
CID 68089345
2-Fluoro-1-[2-fluoro-4-[3-fluoro-4-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]phenyl]sulfonylphenyl]-4-(5-fluoro-2-methoxyphenyl)benzene
CID 87375822
1-[1,1,1,3,3,3-Hexafluoro-2-(3-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene
CID 91361574
[Bis[3-[(2-methylpropan-2-yl)oxy]phenyl]-[4-(phenanthren-9-ylmethoxy)phenyl]-lambda4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 139785749
[Tris(4-methoxyphenyl)-lambda4-sulfanyl] 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;[tris(4-methylphenyl)-lambda4-sulfanyl] 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 139886143
[(4-Methoxyphenyl)-bis[4-(4-phenylphenyl)sulfanylphenyl]-lambda4-sulfanyl] trifluoromethanesulfonate
CID 140218344
[(4-Methoxyphenyl)-bis[4-(4-phenylphenyl)sulfanylphenyl]-lambda4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 140218349
1,1,1-trifluoro-N-[(4-methoxyphenyl)-bis[4-(4-phenylphenyl)sulfanylphenyl]-lambda4-sulfanyl]-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 140218351
4-(5-Fluoro-2-methoxyphenyl)-1-[2-[2-[4-(5-fluoro-2-methoxyphenyl)-2-(trifluoromethyl)phenyl]phenyl]sulfonylphenyl]-2-(trifluoromethyl)benzene
CID 141174365

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-diphenylsulfanium;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,3,5-tricyclohexyl-2-methylbenzene;triphenylsulfanium;tris(3-methoxyphenyl)sulfanium?
The IUPAC name of (4-tert-butylphenyl)-diphenylsulfanium;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,3,5-tricyclohexyl-2-methylbenzene;triphenylsulfanium;tris(3-methoxyphenyl)sulfanium (CID 157309653) is (4-tert-butylphenyl)-diphenylsulfanium;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,3,5-tricyclohexyl-2-methylbenzene;triphenylsulfanium;tris(3-methoxyphenyl)sulfanium.
What is the SMILES notation for (4-tert-butylphenyl)-diphenylsulfanium;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,3,5-tricyclohexyl-2-methylbenzene;triphenylsulfanium;tris(3-methoxyphenyl)sulfanium?
The canonical SMILES for (4-tert-butylphenyl)-diphenylsulfanium;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,3,5-tricyclohexyl-2-methylbenzene;triphenylsulfanium;tris(3-methoxyphenyl)sulfanium is CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.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.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-diphenylsulfanium;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,3,5-tricyclohexyl-2-methylbenzene;triphenylsulfanium;tris(3-methoxyphenyl)sulfanium?
The InChIKey is BCWVAWIFOGMYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38.C22H23S.C21H21O3S.C18H15S.C16H26.C3F6NO4S2/c1-19-24(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(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;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;1-4-10-16(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;4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9/h17-18,20-22H,2-16H2,1H3;4-17H,1-3H3;4-15H,1-3H3;1-15H;8-12H,1-7H3;/q;3*+1;;-1.
What are the key properties of (4-tert-butylphenyl)-diphenylsulfanium;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,3,5-tricyclohexyl-2-methylbenzene;triphenylsulfanium;tris(3-methoxyphenyl)sulfanium?
(4-tert-butylphenyl)-diphenylsulfanium;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,3,5-tricyclohexyl-2-methylbenzene;triphenylsulfanium;tris(3-methoxyphenyl)sulfanium has a molecular weight of 1785.46 g/mol, XLogP of 30.03, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-diphenylsulfanium;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,3,5-tricyclohexyl-2-methylbenzene;triphenylsulfanium;tris(3-methoxyphenyl)sulfanium is sourced from PubChem (CID 157309653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).