2-[(2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)sulfanyl]-2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinane

C60H50O6SSi6 — CID 169210112

IUPAC2-[(2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)sulfanyl]-2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinane
SMILESc1ccc([Si]2(S[Si]3(c4ccccc4)O[Si](c4ccccc4)(c4ccccc4)O[Si](c4ccccc4)(c4ccccc4)O3)O[Si](c3ccccc3)(c3ccccc3)O[Si](c3ccccc3)(c3ccccc3)O2)cc1
InChIInChI=1S/C60H50O6SSi6/c1-11-31-51(32-12-1)68(52-33-13-2-14-34-52)61-69(53-35-15-3-16-36-53,54-37-17-4-18-38-54)64-72(63-68,59-47-27-9-28-48-59)67-73(60-49-29-10-30-50-60)65-70(55-39-19-5-20-40-55,56-41-21-6-22-42-56)62-71(66-73,57-43-23-7-24-44-57)58-45-25-8-26-46-58/h1-50H
InChIKeyVRJOOIKOBAEJIY-UHFFFAOYSA-N
MW1067.64 g/mol
LogP6.57
Rot. Bonds12

About 2-[(2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)sulfanyl]-2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinane

2-[(2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)sulfanyl]-2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinane (PubChem CID 169210112) has the molecular formula C60H50O6SSi6 and a molecular weight of 1067.64 g/mol. Its IUPAC name is 2-[(2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)sulfanyl]-2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinane.

Molecular Properties

Compound Name2-[(2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)sulfanyl]-2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinane
PubChem CID169210112
Molecular FormulaC60H50O6SSi6
Molecular Weight1067.64 g/mol
Exact Mass1066.19
IUPAC Name2-[(2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)sulfanyl]-2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinane
SMILESc1ccc([Si]2(S[Si]3(c4ccccc4)O[Si](c4ccccc4)(c4ccccc4)O[Si](c4ccccc4)(c4ccccc4)O3)O[Si](c3ccccc3)(c3ccccc3)O[Si](c3ccccc3)(c3ccccc3)O2)cc1
InChIInChI=1S/C60H50O6SSi6/c1-11-31-51(32-12-1)68(52-33-13-2-14-34-52)61-69(53-35-15-3-16-36-53,54-37-17-4-18-38-54)64-72(63-68,59-47-27-9-28-48-59)67-73(60-49-29-10-30-50-60)65-70(55-39-19-5-20-40-55,56-41-21-6-22-42-56)62-71(66-73,57-43-23-7-24-44-57)58-45-25-8-26-46-58/h1-50H
InChIKeyVRJOOIKOBAEJIY-UHFFFAOYSA-N
XLogP6.57
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001067.64
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)sulfanyl]-2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinane?
The IUPAC name of 2-[(2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)sulfanyl]-2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinane (CID 169210112) is 2-[(2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)sulfanyl]-2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinane.
What is the SMILES notation for 2-[(2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)sulfanyl]-2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinane?
The canonical SMILES for 2-[(2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)sulfanyl]-2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinane is c1ccc([Si]2(S[Si]3(c4ccccc4)O[Si](c4ccccc4)(c4ccccc4)O[Si](c4ccccc4)(c4ccccc4)O3)O[Si](c3ccccc3)(c3ccccc3)O[Si](c3ccccc3)(c3ccccc3)O2)cc1.
What is the InChIKey of 2-[(2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)sulfanyl]-2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinane?
The InChIKey is VRJOOIKOBAEJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H50O6SSi6/c1-11-31-51(32-12-1)68(52-33-13-2-14-34-52)61-69(53-35-15-3-16-36-53,54-37-17-4-18-38-54)64-72(63-68,59-47-27-9-28-48-59)67-73(60-49-29-10-30-50-60)65-70(55-39-19-5-20-40-55,56-41-21-6-22-42-56)62-71(66-73,57-43-23-7-24-44-57)58-45-25-8-26-46-58/h1-50H.
What are the key properties of 2-[(2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)sulfanyl]-2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinane?
2-[(2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)sulfanyl]-2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinane has a molecular weight of 1067.64 g/mol, XLogP of 6.57, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)sulfanyl]-2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinane is sourced from PubChem (CID 169210112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).