[[3,5-bis[bis(trimethylsilyl)methyl]-2-[2-[2-[[2-[2-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]sulfanylphenyl]sulfanylphenyl]disulfanyl]phenyl]sulfanylphenyl]sulfanylphenyl]-trimethylsilylmethyl]-trimethylsilane

C78H134S6Si12 — CID 11528311

IUPAC[[3,5-bis[bis(trimethylsilyl)methyl]-2-[2-[2-[[2-[2-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]sulfanylphenyl]sulfanylphenyl]disulfanyl]phenyl]sulfanylphenyl]sulfanylphenyl]-trimethylsilylmethyl]-trimethylsilane
SMILESC[Si](C)(C)C(c1cc(C([Si](C)(C)C)[Si](C)(C)C)c(Sc2ccccc2Sc2ccccc2SSc2ccccc2Sc2ccccc2Sc2c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)cc2C([Si](C)(C)C)[Si](C)(C)C)c(C([Si](C)(C)C)[Si](C)(C)C)c1)[Si](C)(C)C
InChIInChI=1S/C78H134S6Si12/c1-85(2,3)73(86(4,5)6)57-53-59(75(89(13,14)15)90(16,17)18)71(60(54-57)76(91(19,20)21)92(22,23)24)81-65-47-39-37-45-63(65)79-67-49-41-43-51-69(67)83-84-70-52-44-42-50-68(70)80-64-46-38-40-48-66(64)82-72-61(77(93(25,26)27)94(28,29)30)55-58(74(87(7,8)9)88(10,11)12)56-62(72)78(95(31,32)33)96(34,35)36/h37-56,73-78H,1-36H3
InChIKeyYRXPOEZMWUUNAE-UHFFFAOYSA-N
MW1601.36 g/mol
LogP30.12
Rot. Bonds29

About [[3,5-bis[bis(trimethylsilyl)methyl]-2-[2-[2-[[2-[2-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]sulfanylphenyl]sulfanylphenyl]disulfanyl]phenyl]sulfanylphenyl]sulfanylphenyl]-trimethylsilylmethyl]-trimethylsilane

[[3,5-bis[bis(trimethylsilyl)methyl]-2-[2-[2-[[2-[2-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]sulfanylphenyl]sulfanylphenyl]disulfanyl]phenyl]sulfanylphenyl]sulfanylphenyl]-trimethylsilylmethyl]-trimethylsilane (PubChem CID 11528311) has the molecular formula C78H134S6Si12 and a molecular weight of 1601.36 g/mol. Its IUPAC name is [[3,5-bis[bis(trimethylsilyl)methyl]-2-[2-[2-[[2-[2-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]sulfanylphenyl]sulfanylphenyl]disulfanyl]phenyl]sulfanylphenyl]sulfanylphenyl]-trimethylsilylmethyl]-trimethylsilane.

Molecular Properties

Compound Name[[3,5-bis[bis(trimethylsilyl)methyl]-2-[2-[2-[[2-[2-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]sulfanylphenyl]sulfanylphenyl]disulfanyl]phenyl]sulfanylphenyl]sulfanylphenyl]-trimethylsilylmethyl]-trimethylsilane
PubChem CID11528311
Molecular FormulaC78H134S6Si12
Molecular Weight1601.36 g/mol
Exact Mass1598.60
IUPAC Name[[3,5-bis[bis(trimethylsilyl)methyl]-2-[2-[2-[[2-[2-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]sulfanylphenyl]sulfanylphenyl]disulfanyl]phenyl]sulfanylphenyl]sulfanylphenyl]-trimethylsilylmethyl]-trimethylsilane
SMILESC[Si](C)(C)C(c1cc(C([Si](C)(C)C)[Si](C)(C)C)c(Sc2ccccc2Sc2ccccc2SSc2ccccc2Sc2ccccc2Sc2c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)cc2C([Si](C)(C)C)[Si](C)(C)C)c(C([Si](C)(C)C)[Si](C)(C)C)c1)[Si](C)(C)C
InChIInChI=1S/C78H134S6Si12/c1-85(2,3)73(86(4,5)6)57-53-59(75(89(13,14)15)90(16,17)18)71(60(54-57)76(91(19,20)21)92(22,23)24)81-65-47-39-37-45-63(65)79-67-49-41-43-51-69(67)83-84-70-52-44-42-50-68(70)80-64-46-38-40-48-66(64)82-72-61(77(93(25,26)27)94(28,29)30)55-58(74(87(7,8)9)88(10,11)12)56-62(72)78(95(31,32)33)96(34,35)36/h37-56,73-78H,1-36H3
InChIKeyYRXPOEZMWUUNAE-UHFFFAOYSA-N
XLogP30.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds29
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001601.36
LogP ≤ 530.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [[3,5-bis[bis(trimethylsilyl)methyl]-2-[2-[2-[[2-[2-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]sulfanylphenyl]sulfanylphenyl]disulfanyl]phenyl]sulfanylphenyl]sulfanylphenyl]-trimethylsilylmethyl]-trimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [[3,5-bis[bis(trimethylsilyl)methyl]-2-[2-[2-[[2-[2-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]sulfanylphenyl]sulfanylphenyl]disulfanyl]phenyl]sulfanylphenyl]sulfanylphenyl]-trimethylsilylmethyl]-trimethylsilane?
The IUPAC name of [[3,5-bis[bis(trimethylsilyl)methyl]-2-[2-[2-[[2-[2-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]sulfanylphenyl]sulfanylphenyl]disulfanyl]phenyl]sulfanylphenyl]sulfanylphenyl]-trimethylsilylmethyl]-trimethylsilane (CID 11528311) is [[3,5-bis[bis(trimethylsilyl)methyl]-2-[2-[2-[[2-[2-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]sulfanylphenyl]sulfanylphenyl]disulfanyl]phenyl]sulfanylphenyl]sulfanylphenyl]-trimethylsilylmethyl]-trimethylsilane.
What is the SMILES notation for [[3,5-bis[bis(trimethylsilyl)methyl]-2-[2-[2-[[2-[2-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]sulfanylphenyl]sulfanylphenyl]disulfanyl]phenyl]sulfanylphenyl]sulfanylphenyl]-trimethylsilylmethyl]-trimethylsilane?
The canonical SMILES for [[3,5-bis[bis(trimethylsilyl)methyl]-2-[2-[2-[[2-[2-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]sulfanylphenyl]sulfanylphenyl]disulfanyl]phenyl]sulfanylphenyl]sulfanylphenyl]-trimethylsilylmethyl]-trimethylsilane is C[Si](C)(C)C(c1cc(C([Si](C)(C)C)[Si](C)(C)C)c(Sc2ccccc2Sc2ccccc2SSc2ccccc2Sc2ccccc2Sc2c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)cc2C([Si](C)(C)C)[Si](C)(C)C)c(C([Si](C)(C)C)[Si](C)(C)C)c1)[Si](C)(C)C.
What is the InChIKey of [[3,5-bis[bis(trimethylsilyl)methyl]-2-[2-[2-[[2-[2-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]sulfanylphenyl]sulfanylphenyl]disulfanyl]phenyl]sulfanylphenyl]sulfanylphenyl]-trimethylsilylmethyl]-trimethylsilane?
The InChIKey is YRXPOEZMWUUNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H134S6Si12/c1-85(2,3)73(86(4,5)6)57-53-59(75(89(13,14)15)90(16,17)18)71(60(54-57)76(91(19,20)21)92(22,23)24)81-65-47-39-37-45-63(65)79-67-49-41-43-51-69(67)83-84-70-52-44-42-50-68(70)80-64-46-38-40-48-66(64)82-72-61(77(93(25,26)27)94(28,29)30)55-58(74(87(7,8)9)88(10,11)12)56-62(72)78(95(31,32)33)96(34,35)36/h37-56,73-78H,1-36H3.
What are the key properties of [[3,5-bis[bis(trimethylsilyl)methyl]-2-[2-[2-[[2-[2-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]sulfanylphenyl]sulfanylphenyl]disulfanyl]phenyl]sulfanylphenyl]sulfanylphenyl]-trimethylsilylmethyl]-trimethylsilane?
[[3,5-bis[bis(trimethylsilyl)methyl]-2-[2-[2-[[2-[2-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]sulfanylphenyl]sulfanylphenyl]disulfanyl]phenyl]sulfanylphenyl]sulfanylphenyl]-trimethylsilylmethyl]-trimethylsilane has a molecular weight of 1601.36 g/mol, XLogP of 30.12, 29 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[3,5-bis[bis(trimethylsilyl)methyl]-2-[2-[2-[[2-[2-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]sulfanylphenyl]sulfanylphenyl]disulfanyl]phenyl]sulfanylphenyl]sulfanylphenyl]-trimethylsilylmethyl]-trimethylsilane is sourced from PubChem (CID 11528311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).