dimethyl(methylidene)-λ4-sulfane;trimethoxy-[3-[2-[2-[4-(4-methoxyphenyl)sulfonylphenoxy]-5-[2-[4-[4-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-(2-trimethoxysilylethyl)phenyl]propan-2-yl]phenyl]ethylsulfanyl]propyl]silane

C72H88O14S4Si2 — CID 167560484

About dimethyl(methylidene)-λ4-sulfane;trimethoxy-[3-[2-[2-[4-(4-methoxyphenyl)sulfonylphenoxy]-5-[2-[4-[4-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-(2-trimethoxysilylethyl)phenyl]propan-2-yl]phenyl]ethylsulfanyl]propyl]silane

dimethyl(methylidene)-λ4-sulfane;trimethoxy-[3-[2-[2-[4-(4-methoxyphenyl)sulfonylphenoxy]-5-[2-[4-[4-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-(2-trimethoxysilylethyl)phenyl]propan-2-yl]phenyl]ethylsulfanyl]propyl]silane (PubChem CID 167560484) has the molecular formula C72H88O14S4Si2 and a molecular weight of 1361.92 g/mol. Its IUPAC name is dimethyl(methylidene)-λ4-sulfane;trimethoxy-[3-[2-[2-[4-(4-methoxyphenyl)sulfonylphenoxy]-5-[2-[4-[4-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-(2-trimethoxysilylethyl)phenyl]propan-2-yl]phenyl]ethylsulfanyl]propyl]silane.

Molecular Properties

• Compound Name: dimethyl(methylidene)-λ4-sulfane;trimethoxy-[3-[2-[2-[4-(4-methoxyphenyl)sulfonylphenoxy]-5-[2-[4-[4-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-(2-trimethoxysilylethyl)phenyl]propan-2-yl]phenyl]ethylsulfanyl]propyl]silane
• PubChem CID: 167560484
• Molecular Formula: C72H88O14S4Si2
• Molecular Weight: 1361.92 g/mol
• Exact Mass: 1360.46
• IUPAC Name: dimethyl(methylidene)-λ4-sulfane;trimethoxy-[3-[2-[2-[4-(4-methoxyphenyl)sulfonylphenoxy]-5-[2-[4-[4-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-(2-trimethoxysilylethyl)phenyl]propan-2-yl]phenyl]ethylsulfanyl]propyl]silane
• SMILES: C=S(C)C.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc(S(=O)(=O)c6ccc(Oc7ccc(C(C)(C)c8ccc(C)cc8)cc7)cc6)cc5)c(CC[Si](OC)(OC)OC)c4)cc3CCSCCC[Si](OC)(OC)OC)cc2)cc1
• InChI: InChI=1S/C69H80O14S3Si2.C3H8S/c1-50-14-16-53(17-15-50)68(2,3)54-18-22-58(23-19-54)81-59-26-34-63(35-27-59)86(72,73)65-38-30-61(31-39-65)83-67-41-21-56(49-52(67)43-47-88(78-10,79-11)80-12)69(4,5)55-20-40-66(51(48-55)42-45-84-44-13-46-87(75-7,76-8)77-9)82-60-28-36-64(37-29-60)85(70,71)62-32-24-57(74-6)25-33-62;1-4(2)3/h14-41,48-49H,13,42-47H2,1-12H3;1H2,2-3H3
• InChIKey: DPANNNYUGUKARZ-UHFFFAOYSA-N
• XLogP: 16.61
• TPSA: 160.58 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 31
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1361.92
LogP ≤ 5	16.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dimethyl(methylidene)-λ4-sulfane;trimethoxy-[3-[2-[2-[4-(4-methoxyphenyl)sulfonylphenoxy]-5-[2-[4-[4-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-(2-trimethoxysilylethyl)phenyl]propan-2-yl]phenyl]ethylsulfanyl]propyl]silane?

The IUPAC name of dimethyl(methylidene)-λ4-sulfane;trimethoxy-[3-[2-[2-[4-(4-methoxyphenyl)sulfonylphenoxy]-5-[2-[4-[4-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-(2-trimethoxysilylethyl)phenyl]propan-2-yl]phenyl]ethylsulfanyl]propyl]silane (CID 167560484) is dimethyl(methylidene)-λ4-sulfane;trimethoxy-[3-[2-[2-[4-(4-methoxyphenyl)sulfonylphenoxy]-5-[2-[4-[4-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-(2-trimethoxysilylethyl)phenyl]propan-2-yl]phenyl]ethylsulfanyl]propyl]silane.

What is the SMILES notation for dimethyl(methylidene)-λ4-sulfane;trimethoxy-[3-[2-[2-[4-(4-methoxyphenyl)sulfonylphenoxy]-5-[2-[4-[4-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-(2-trimethoxysilylethyl)phenyl]propan-2-yl]phenyl]ethylsulfanyl]propyl]silane?

The canonical SMILES for dimethyl(methylidene)-λ4-sulfane;trimethoxy-[3-[2-[2-[4-(4-methoxyphenyl)sulfonylphenoxy]-5-[2-[4-[4-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-(2-trimethoxysilylethyl)phenyl]propan-2-yl]phenyl]ethylsulfanyl]propyl]silane is C=S(C)C.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc(S(=O)(=O)c6ccc(Oc7ccc(C(C)(C)c8ccc(C)cc8)cc7)cc6)cc5)c(CC[Si](OC)(OC)OC)c4)cc3CCSCCC[Si](OC)(OC)OC)cc2)cc1.

What is the InChIKey of dimethyl(methylidene)-λ4-sulfane;trimethoxy-[3-[2-[2-[4-(4-methoxyphenyl)sulfonylphenoxy]-5-[2-[4-[4-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-(2-trimethoxysilylethyl)phenyl]propan-2-yl]phenyl]ethylsulfanyl]propyl]silane?

The InChIKey is DPANNNYUGUKARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H80O14S3Si2.C3H8S/c1-50-14-16-53(17-15-50)68(2,3)54-18-22-58(23-19-54)81-59-26-34-63(35-27-59)86(72,73)65-38-30-61(31-39-65)83-67-41-21-56(49-52(67)43-47-88(78-10,79-11)80-12)69(4,5)55-20-40-66(51(48-55)42-45-84-44-13-46-87(75-7,76-8)77-9)82-60-28-36-64(37-29-60)85(70,71)62-32-24-57(74-6)25-33-62;1-4(2)3/h14-41,48-49H,13,42-47H2,1-12H3;1H2,2-3H3.

What are the key properties of dimethyl(methylidene)-λ4-sulfane;trimethoxy-[3-[2-[2-[4-(4-methoxyphenyl)sulfonylphenoxy]-5-[2-[4-[4-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-(2-trimethoxysilylethyl)phenyl]propan-2-yl]phenyl]ethylsulfanyl]propyl]silane?

dimethyl(methylidene)-λ4-sulfane;trimethoxy-[3-[2-[2-[4-(4-methoxyphenyl)sulfonylphenoxy]-5-[2-[4-[4-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-(2-trimethoxysilylethyl)phenyl]propan-2-yl]phenyl]ethylsulfanyl]propyl]silane has a molecular weight of 1361.92 g/mol, XLogP of 16.61, 31 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl(methylidene)-λ4-sulfane;trimethoxy-[3-[2-[2-[4-(4-methoxyphenyl)sulfonylphenoxy]-5-[2-[4-[4-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-(2-trimethoxysilylethyl)phenyl]propan-2-yl]phenyl]ethylsulfanyl]propyl]silane is sourced from PubChem (CID 167560484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).