bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4-methylphenyl)-diphenylsulfanium;1,2,3,4,5-pentafluoro-6-methylbenzene;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium)

C192H219F17NO7S7+5 — CID 158818202

About bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4-methylphenyl)-diphenylsulfanium;1,2,3,4,5-pentafluoro-6-methylbenzene;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium)

bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4-methylphenyl)-diphenylsulfanium;1,2,3,4,5-pentafluoro-6-methylbenzene;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium) (PubChem CID 158818202) has the molecular formula C192H219F17NO7S7+5 and a molecular weight of 3200.30 g/mol. Its IUPAC name is bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4-methylphenyl)-diphenylsulfanium;1,2,3,4,5-pentafluoro-6-methylbenzene;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium).

Molecular Properties

• Compound Name: bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4-methylphenyl)-diphenylsulfanium;1,2,3,4,5-pentafluoro-6-methylbenzene;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium)
• PubChem CID: 158818202
• Molecular Formula: C192H219F17NO7S7+5
• Molecular Weight: 3200.30 g/mol
• Exact Mass: 3197.46
• IUPAC Name: bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4-methylphenyl)-diphenylsulfanium;1,2,3,4,5-pentafluoro-6-methylbenzene;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium)
• SMILES: CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.COc1cccc([S+](c2cccc(C)c2)c2cccc(OC)c2)c1.Cc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.Cc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.Cc1c(F)c(F)c(F)c(F)c1F.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C28H38F6O3S.2C25H38.C21H21O2S.C19H17S.3C18H15S.C13H19F6NO2S.C7H3F5/c1-26(29,30)27(31,32)28(33,34)38(35,36)37-25-23(20-13-7-3-8-14-20)17-22(19-11-5-2-6-12-19)18-24(25)21-15-9-4-10-16-21;2*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;1-16-7-4-10-19(13-16)24(20-11-5-8-17(14-20)22-2)21-12-6-9-18(15-21)23-3;1-16-12-14-19(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;1-11(14,15)12(16,17)13(18,19)23(21,22)20-7-6-9-4-2-3-5-10(9)8-20;1-2-3(8)5(10)7(12)6(11)4(2)9/h17-21H,2-16H2,1H3;2*17-18,20-22H,2-16H2,1H3;4-15H,1-3H3;2-15H,1H3;3*1-15H;9-10H,2-8H2,1H3;1H3/q;;;5*+1
• InChIKey: IVNQAARJGBQWAU-UHFFFAOYSA-N
• XLogP: 56.64
• TPSA: 99.21 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 35
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3200.30
LogP ≤ 5	56.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4-methylphenyl)-diphenylsulfanium;1,2,3,4,5-pentafluoro-6-methylbenzene;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium)?

The IUPAC name of bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4-methylphenyl)-diphenylsulfanium;1,2,3,4,5-pentafluoro-6-methylbenzene;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium) (CID 158818202) is bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4-methylphenyl)-diphenylsulfanium;1,2,3,4,5-pentafluoro-6-methylbenzene;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium).

What is the SMILES notation for bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4-methylphenyl)-diphenylsulfanium;1,2,3,4,5-pentafluoro-6-methylbenzene;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium)?

The canonical SMILES for bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4-methylphenyl)-diphenylsulfanium;1,2,3,4,5-pentafluoro-6-methylbenzene;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium) is CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.COc1cccc([S+](c2cccc(C)c2)c2cccc(OC)c2)c1.Cc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.Cc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.Cc1c(F)c(F)c(F)c(F)c1F.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 bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4-methylphenyl)-diphenylsulfanium;1,2,3,4,5-pentafluoro-6-methylbenzene;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium)?

The InChIKey is IVNQAARJGBQWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38F6O3S.2C25H38.C21H21O2S.C19H17S.3C18H15S.C13H19F6NO2S.C7H3F5/c1-26(29,30)27(31,32)28(33,34)38(35,36)37-25-23(20-13-7-3-8-14-20)17-22(19-11-5-2-6-12-19)18-24(25)21-15-9-4-10-16-21;2*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;1-16-7-4-10-19(13-16)24(20-11-5-8-17(14-20)22-2)21-12-6-9-18(15-21)23-3;1-16-12-14-19(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;1-11(14,15)12(16,17)13(18,19)23(21,22)20-7-6-9-4-2-3-5-10(9)8-20;1-2-3(8)5(10)7(12)6(11)4(2)9/h17-21H,2-16H2,1H3;2*17-18,20-22H,2-16H2,1H3;4-15H,1-3H3;2-15H,1H3;3*1-15H;9-10H,2-8H2,1H3;1H3/q;;;5*+1;;.

What are the key properties of bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4-methylphenyl)-diphenylsulfanium;1,2,3,4,5-pentafluoro-6-methylbenzene;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium)?

bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4-methylphenyl)-diphenylsulfanium;1,2,3,4,5-pentafluoro-6-methylbenzene;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium) has a molecular weight of 3200.30 g/mol, XLogP of 56.64, 35 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4-methylphenyl)-diphenylsulfanium;1,2,3,4,5-pentafluoro-6-methylbenzene;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium) is sourced from PubChem (CID 158818202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).