2,4,6-trimethyl-2,4,6-triphenyl-1,3,5,2,4,6-trithiatrisilinane

C21H24S3Si3 — CID 15717312

IUPAC2,4,6-trimethyl-2,4,6-triphenyl-1,3,5,2,4,6-trithiatrisilinane
SMILESC[Si]1(c2ccccc2)S[Si](C)(c2ccccc2)S[Si](C)(c2ccccc2)S1
InChIInChI=1S/C21H24S3Si3/c1-25(19-13-7-4-8-14-19)22-26(2,20-15-9-5-10-16-20)24-27(3,23-25)21-17-11-6-12-18-21/h4-18H,1-3H3
InChIKeyNMMADXYGAYHWNH-UHFFFAOYSA-N
MW456.88 g/mol
LogP5.14
Rot. Bonds3

About 2,4,6-trimethyl-2,4,6-triphenyl-1,3,5,2,4,6-trithiatrisilinane

2,4,6-trimethyl-2,4,6-triphenyl-1,3,5,2,4,6-trithiatrisilinane (PubChem CID 15717312) has the molecular formula C21H24S3Si3 and a molecular weight of 456.88 g/mol. Its IUPAC name is 2,4,6-trimethyl-2,4,6-triphenyl-1,3,5,2,4,6-trithiatrisilinane.

Molecular Properties

Compound Name2,4,6-trimethyl-2,4,6-triphenyl-1,3,5,2,4,6-trithiatrisilinane
PubChem CID15717312
Molecular FormulaC21H24S3Si3
Molecular Weight456.88 g/mol
Exact Mass456.03
IUPAC Name2,4,6-trimethyl-2,4,6-triphenyl-1,3,5,2,4,6-trithiatrisilinane
SMILESC[Si]1(c2ccccc2)S[Si](C)(c2ccccc2)S[Si](C)(c2ccccc2)S1
InChIInChI=1S/C21H24S3Si3/c1-25(19-13-7-4-8-14-19)22-26(2,20-15-9-5-10-16-20)24-27(3,23-25)21-17-11-6-12-18-21/h4-18H,1-3H3
InChIKeyNMMADXYGAYHWNH-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.88
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4,4,5,5-pentamethyl-2-phenyl-1,3,2,4,5-dithiatrisilolane
CID 101044204
1,1,2,2,3,3,4,4,5-nonamethyl-5-phenylpentasilolane
CID 13004938
2,4,6,8-tetramethyl-2,4,6,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 6487
3-methyl-3-phenyldioxasilirane
CID 57317747
4-methyl-4-phenyl-1,4-azasilinane
CID 66925910
2,2,6,6-tetramethyl-4,4,8,8-tetraphenyl-1,3,5,7,2,4,6,8-tetrazatetrasilocane
CID 12550610
(1S,3S,4R)-1,3,4,6-tetramethyl-3,6-diphenyl-2,5,7-tritellura-1,3,4,6-tetrasilabicyclo[2.2.1]heptane
CID 177387413
2,2-dimethyl-1,1,3,3-tetraphenyl-4,7-dihydrotrisilepine
CID 177288427
2,2,4,4,6,6-hexamethyl-8,8,10,10-tetraphenyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
CID 6429726
1,1,2,6,6,7-hexamethyl-2,7-diphenyl-1,2,6,7-tetrasilecane
CID 11729896
2-ethyl-2-methyl-6-phenyl-6-sulfanyl-1,2,6-thiadisilinane
CID 71325110
2,8-dihydroxy-4,4,6,6,10,10,12,12-octamethyl-2,8-diphenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane
CID 13425887

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-2,4,6-triphenyl-1,3,5,2,4,6-trithiatrisilinane?
The IUPAC name of 2,4,6-trimethyl-2,4,6-triphenyl-1,3,5,2,4,6-trithiatrisilinane (CID 15717312) is 2,4,6-trimethyl-2,4,6-triphenyl-1,3,5,2,4,6-trithiatrisilinane.
What is the SMILES notation for 2,4,6-trimethyl-2,4,6-triphenyl-1,3,5,2,4,6-trithiatrisilinane?
The canonical SMILES for 2,4,6-trimethyl-2,4,6-triphenyl-1,3,5,2,4,6-trithiatrisilinane is C[Si]1(c2ccccc2)S[Si](C)(c2ccccc2)S[Si](C)(c2ccccc2)S1.
What is the InChIKey of 2,4,6-trimethyl-2,4,6-triphenyl-1,3,5,2,4,6-trithiatrisilinane?
The InChIKey is NMMADXYGAYHWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24S3Si3/c1-25(19-13-7-4-8-14-19)22-26(2,20-15-9-5-10-16-20)24-27(3,23-25)21-17-11-6-12-18-21/h4-18H,1-3H3.
What are the key properties of 2,4,6-trimethyl-2,4,6-triphenyl-1,3,5,2,4,6-trithiatrisilinane?
2,4,6-trimethyl-2,4,6-triphenyl-1,3,5,2,4,6-trithiatrisilinane has a molecular weight of 456.88 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-2,4,6-triphenyl-1,3,5,2,4,6-trithiatrisilinane is sourced from PubChem (CID 15717312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).