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

C73H131Cl3S4Si12 — CID 139129883

IUPAC[[3,5-bis[bis(trimethylsilyl)methyl]-2-[2-[2-[2-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]-trimethylsilylmethyl]-trimethylsilane;chloroform
SMILESC[Si](C)(C)C(c1cc(C([Si](C)(C)C)[Si](C)(C)C)c(Sc2ccccc2Sc2ccccc2Sc2ccccc2Sc2c(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.ClC(Cl)Cl
InChIInChI=1S/C72H130S4Si12.CHCl3/c1-77(2,3)67(78(4,5)6)53-49-55(69(81(13,14)15)82(16,17)18)65(56(50-53)70(83(19,20)21)84(22,23)24)75-63-47-41-39-45-61(63)73-59-43-37-38-44-60(59)74-62-46-40-42-48-64(62)76-66-57(71(85(25,26)27)86(28,29)30)51-54(68(79(7,8)9)80(10,11)12)52-58(66)72(87(31,32)33)88(34,35)36;2-1(3)4/h37-52,67-72H,1-36H3;1H
InChIKeySLHLCKSPZXSSGF-UHFFFAOYSA-N
MW1580.51 g/mol
LogP29.31
Rot. Bonds26

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

[[3,5-bis[bis(trimethylsilyl)methyl]-2-[2-[2-[2-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]-trimethylsilylmethyl]-trimethylsilane;chloroform (PubChem CID 139129883) has the molecular formula C73H131Cl3S4Si12 and a molecular weight of 1580.51 g/mol. Its IUPAC name is [[3,5-bis[bis(trimethylsilyl)methyl]-2-[2-[2-[2-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]-trimethylsilylmethyl]-trimethylsilane;chloroform.

Molecular Properties

Compound Name[[3,5-bis[bis(trimethylsilyl)methyl]-2-[2-[2-[2-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]-trimethylsilylmethyl]-trimethylsilane;chloroform
PubChem CID139129883
Molecular FormulaC73H131Cl3S4Si12
Molecular Weight1580.51 g/mol
Exact Mass1576.54
IUPAC Name[[3,5-bis[bis(trimethylsilyl)methyl]-2-[2-[2-[2-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]-trimethylsilylmethyl]-trimethylsilane;chloroform
SMILESC[Si](C)(C)C(c1cc(C([Si](C)(C)C)[Si](C)(C)C)c(Sc2ccccc2Sc2ccccc2Sc2ccccc2Sc2c(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.ClC(Cl)Cl
InChIInChI=1S/C72H130S4Si12.CHCl3/c1-77(2,3)67(78(4,5)6)53-49-55(69(81(13,14)15)82(16,17)18)65(56(50-53)70(83(19,20)21)84(22,23)24)75-63-47-41-39-45-61(63)73-59-43-37-38-44-60(59)74-62-46-40-42-48-64(62)76-66-57(71(85(25,26)27)86(28,29)30)51-54(68(79(7,8)9)80(10,11)12)52-58(66)72(87(31,32)33)88(34,35)36;2-1(3)4/h37-52,67-72H,1-36H3;1H
InChIKeySLHLCKSPZXSSGF-UHFFFAOYSA-N
XLogP29.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001580.51
LogP ≤ 529.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[3,5-bis[bis(trimethylsilyl)methyl]-2-[2-[2-[2-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]-trimethylsilylmethyl]-trimethylsilane;chloroform?
The IUPAC name of [[3,5-bis[bis(trimethylsilyl)methyl]-2-[2-[2-[2-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]-trimethylsilylmethyl]-trimethylsilane;chloroform (CID 139129883) is [[3,5-bis[bis(trimethylsilyl)methyl]-2-[2-[2-[2-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]-trimethylsilylmethyl]-trimethylsilane;chloroform.
What is the SMILES notation for [[3,5-bis[bis(trimethylsilyl)methyl]-2-[2-[2-[2-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]-trimethylsilylmethyl]-trimethylsilane;chloroform?
The canonical SMILES for [[3,5-bis[bis(trimethylsilyl)methyl]-2-[2-[2-[2-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]-trimethylsilylmethyl]-trimethylsilane;chloroform is C[Si](C)(C)C(c1cc(C([Si](C)(C)C)[Si](C)(C)C)c(Sc2ccccc2Sc2ccccc2Sc2ccccc2Sc2c(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.ClC(Cl)Cl.
What is the InChIKey of [[3,5-bis[bis(trimethylsilyl)methyl]-2-[2-[2-[2-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]-trimethylsilylmethyl]-trimethylsilane;chloroform?
The InChIKey is SLHLCKSPZXSSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H130S4Si12.CHCl3/c1-77(2,3)67(78(4,5)6)53-49-55(69(81(13,14)15)82(16,17)18)65(56(50-53)70(83(19,20)21)84(22,23)24)75-63-47-41-39-45-61(63)73-59-43-37-38-44-60(59)74-62-46-40-42-48-64(62)76-66-57(71(85(25,26)27)86(28,29)30)51-54(68(79(7,8)9)80(10,11)12)52-58(66)72(87(31,32)33)88(34,35)36;2-1(3)4/h37-52,67-72H,1-36H3;1H.
What are the key properties of [[3,5-bis[bis(trimethylsilyl)methyl]-2-[2-[2-[2-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]-trimethylsilylmethyl]-trimethylsilane;chloroform?
[[3,5-bis[bis(trimethylsilyl)methyl]-2-[2-[2-[2-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]-trimethylsilylmethyl]-trimethylsilane;chloroform has a molecular weight of 1580.51 g/mol, XLogP of 29.31, 26 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[3,5-bis[bis(trimethylsilyl)methyl]-2-[2-[2-[2-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]-trimethylsilylmethyl]-trimethylsilane;chloroform is sourced from PubChem (CID 139129883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).