bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;bis(4-butan-2-ylphenol);[(4-butan-2-ylphenoxy)sulfonyl-difluoromethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2-tetrafluoroethanesulfonate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;methane;5-phenyldibenzothiophen-5-ium;1-phenylethyl 2,2-dimethylbutanoate

C142H218F9NO23S7 — CID 157167788

About bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;bis(4-butan-2-ylphenol);[(4-butan-2-ylphenoxy)sulfonyl-difluoromethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2-tetrafluoroethanesulfonate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;methane;5-phenyldibenzothiophen-5-ium;1-phenylethyl 2,2-dimethylbutanoate

bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;bis(4-butan-2-ylphenol);[(4-butan-2-ylphenoxy)sulfonyl-difluoromethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2-tetrafluoroethanesulfonate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;methane;5-phenyldibenzothiophen-5-ium;1-phenylethyl 2,2-dimethylbutanoate (PubChem CID 157167788) has the molecular formula C142H218F9NO23S7 and a molecular weight of 2702.74 g/mol. Its IUPAC name is bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;bis(4-butan-2-ylphenol);[(4-butan-2-ylphenoxy)sulfonyl-difluoromethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2-tetrafluoroethanesulfonate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;methane;5-phenyldibenzothiophen-5-ium;1-phenylethyl 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;bis(4-butan-2-ylphenol);[(4-butan-2-ylphenoxy)sulfonyl-difluoromethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2-tetrafluoroethanesulfonate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;methane;5-phenyldibenzothiophen-5-ium;1-phenylethyl 2,2-dimethylbutanoate
• PubChem CID: 157167788
• Molecular Formula: C142H218F9NO23S7
• Molecular Weight: 2702.74 g/mol
• Exact Mass: 2700.38
• IUPAC Name: bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;bis(4-butan-2-ylphenol);[(4-butan-2-ylphenoxy)sulfonyl-difluoromethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2-tetrafluoroethanesulfonate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;methane;5-phenyldibenzothiophen-5-ium;1-phenylethyl 2,2-dimethylbutanoate
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OC(C)c1ccccc1.CCC(C)(C)C(=O)OC(CC)(CC)C1CCCCC1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.CCC(C)c1ccc(OS(=O)(=O)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1.CCOC(C)Oc1ccc(C(C)CC)cc1.COc1cccc([S+](c2cccc(C)c2)c2cccc(OC)c2)c1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1
• InChI: InChI=1S/C21H21O2S.C18H13S.C17H32O2.C14H20O2.C14H22O2.C12H13F5NO7S3.C12H14F4O6S2.2C10H14O.14CH4/c1-16-7-4-10-19(13-16)24(20-11-5-8-17(14-20)22-2)21-12-6-9-18(15-21)23-3;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-6-16(4,5)15(18)19-17(7-2,8-3)14-12-10-9-11-13-14;1-5-14(3,4)13(15)16-11(2)12-9-7-6-8-10-12;1-5-11(3)13-7-9-14(10-8-13)16-12(4)15-6-2;1-3-8(2)9-4-6-10(7-5-9)25-28(23,24)12(16,17)27(21,22)18-26(19,20)11(13,14)15;1-3-8(2)9-4-6-10(7-5-9)22-24(20,21)12(15,16)11(13,14)23(17,18)19;2*1-3-8(2)9-4-6-10(11)7-5-9;;;;;;;;;;;;;;/h4-15H,1-3H3;1-13H;14H,6-13H2,1-5H3;6-11H,5H2,1-4H3;7-12H,5-6H2,1-4H3;4-8H,3H2,1-2H3;4-8H,3H2,1-2H3,(H,17,18,19);2*4-8,11H,3H2,1-2H3;14*1H4/q2*+1;;;;-1;;;;;;;;;;;;;;;;;/p-1
• InChIKey: ANCRDVVNPIFJBQ-UHFFFAOYSA-M
• XLogP: 44.00
• TPSA: 356.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 41
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2702.74
LogP ≤ 5	44.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;bis(4-butan-2-ylphenol);[(4-butan-2-ylphenoxy)sulfonyl-difluoromethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2-tetrafluoroethanesulfonate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;methane;5-phenyldibenzothiophen-5-ium;1-phenylethyl 2,2-dimethylbutanoate?

The IUPAC name of bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;bis(4-butan-2-ylphenol);[(4-butan-2-ylphenoxy)sulfonyl-difluoromethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2-tetrafluoroethanesulfonate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;methane;5-phenyldibenzothiophen-5-ium;1-phenylethyl 2,2-dimethylbutanoate (CID 157167788) is bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;bis(4-butan-2-ylphenol);[(4-butan-2-ylphenoxy)sulfonyl-difluoromethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2-tetrafluoroethanesulfonate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;methane;5-phenyldibenzothiophen-5-ium;1-phenylethyl 2,2-dimethylbutanoate.

What is the SMILES notation for bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;bis(4-butan-2-ylphenol);[(4-butan-2-ylphenoxy)sulfonyl-difluoromethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2-tetrafluoroethanesulfonate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;methane;5-phenyldibenzothiophen-5-ium;1-phenylethyl 2,2-dimethylbutanoate?

The canonical SMILES for bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;bis(4-butan-2-ylphenol);[(4-butan-2-ylphenoxy)sulfonyl-difluoromethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2-tetrafluoroethanesulfonate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;methane;5-phenyldibenzothiophen-5-ium;1-phenylethyl 2,2-dimethylbutanoate is C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OC(C)c1ccccc1.CCC(C)(C)C(=O)OC(CC)(CC)C1CCCCC1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.CCC(C)c1ccc(OS(=O)(=O)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1.CCOC(C)Oc1ccc(C(C)CC)cc1.COc1cccc([S+](c2cccc(C)c2)c2cccc(OC)c2)c1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.

What is the InChIKey of bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;bis(4-butan-2-ylphenol);[(4-butan-2-ylphenoxy)sulfonyl-difluoromethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2-tetrafluoroethanesulfonate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;methane;5-phenyldibenzothiophen-5-ium;1-phenylethyl 2,2-dimethylbutanoate?

The InChIKey is ANCRDVVNPIFJBQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H21O2S.C18H13S.C17H32O2.C14H20O2.C14H22O2.C12H13F5NO7S3.C12H14F4O6S2.2C10H14O.14CH4/c1-16-7-4-10-19(13-16)24(20-11-5-8-17(14-20)22-2)21-12-6-9-18(15-21)23-3;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-6-16(4,5)15(18)19-17(7-2,8-3)14-12-10-9-11-13-14;1-5-14(3,4)13(15)16-11(2)12-9-7-6-8-10-12;1-5-11(3)13-7-9-14(10-8-13)16-12(4)15-6-2;1-3-8(2)9-4-6-10(7-5-9)25-28(23,24)12(16,17)27(21,22)18-26(19,20)11(13,14)15;1-3-8(2)9-4-6-10(7-5-9)22-24(20,21)12(15,16)11(13,14)23(17,18)19;2*1-3-8(2)9-4-6-10(11)7-5-9;;;;;;;;;;;;;;/h4-15H,1-3H3;1-13H;14H,6-13H2,1-5H3;6-11H,5H2,1-4H3;7-12H,5-6H2,1-4H3;4-8H,3H2,1-2H3;4-8H,3H2,1-2H3,(H,17,18,19);2*4-8,11H,3H2,1-2H3;14*1H4/q2*+1;;;;-1;;;;;;;;;;;;;;;;;/p-1.

What are the key properties of bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;bis(4-butan-2-ylphenol);[(4-butan-2-ylphenoxy)sulfonyl-difluoromethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2-tetrafluoroethanesulfonate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;methane;5-phenyldibenzothiophen-5-ium;1-phenylethyl 2,2-dimethylbutanoate?

bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;bis(4-butan-2-ylphenol);[(4-butan-2-ylphenoxy)sulfonyl-difluoromethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2-tetrafluoroethanesulfonate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;methane;5-phenyldibenzothiophen-5-ium;1-phenylethyl 2,2-dimethylbutanoate has a molecular weight of 2702.74 g/mol, XLogP of 44.00, 41 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;bis(4-butan-2-ylphenol);[(4-butan-2-ylphenoxy)sulfonyl-difluoromethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2-tetrafluoroethanesulfonate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;methane;5-phenyldibenzothiophen-5-ium;1-phenylethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 157167788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).