2,4,6-triethynyl-2,4,6-triphenyl-1,3,5,2,4,6-trioxatrisilinane

C24H18O3Si3 — CID 174007685

IUPAC2,4,6-triethynyl-2,4,6-triphenyl-1,3,5,2,4,6-trioxatrisilinane
SMILESC#C[Si]1(c2ccccc2)O[Si](C#C)(c2ccccc2)O[Si](C#C)(c2ccccc2)O1
InChIInChI=1S/C24H18O3Si3/c1-4-28(22-16-10-7-11-17-22)25-29(5-2,23-18-12-8-13-19-23)27-30(6-3,26-28)24-20-14-9-15-21-24/h1-3,7-21H
InChIKeySWYJJYHMWMYMDK-UHFFFAOYSA-N
MW438.66 g/mol
LogP1.62
Rot. Bonds3

About 2,4,6-triethynyl-2,4,6-triphenyl-1,3,5,2,4,6-trioxatrisilinane

2,4,6-triethynyl-2,4,6-triphenyl-1,3,5,2,4,6-trioxatrisilinane (PubChem CID 174007685) has the molecular formula C24H18O3Si3 and a molecular weight of 438.66 g/mol. Its IUPAC name is 2,4,6-triethynyl-2,4,6-triphenyl-1,3,5,2,4,6-trioxatrisilinane.

Molecular Properties

Compound Name2,4,6-triethynyl-2,4,6-triphenyl-1,3,5,2,4,6-trioxatrisilinane
PubChem CID174007685
Molecular FormulaC24H18O3Si3
Molecular Weight438.66 g/mol
Exact Mass438.06
IUPAC Name2,4,6-triethynyl-2,4,6-triphenyl-1,3,5,2,4,6-trioxatrisilinane
SMILESC#C[Si]1(c2ccccc2)O[Si](C#C)(c2ccccc2)O[Si](C#C)(c2ccccc2)O1
InChIInChI=1S/C24H18O3Si3/c1-4-28(22-16-10-7-11-17-22)25-29(5-2,23-18-12-8-13-19-23)27-30(6-3,26-28)24-20-14-9-15-21-24/h1-3,7-21H
InChIKeySWYJJYHMWMYMDK-UHFFFAOYSA-N
XLogP1.62
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.66
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4,6,8-tetramethyl-2,4,6,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 6487
2,2,4,4,6,6,8,8-octakis-phenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 139055820
2,2,4,4-tetraphenyl-1,3,2,4-dioxadisiletane
CID 15436049
2,4,6,8-tetrafluoro-2,4,6,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 122208688
2,2,4,4,6,6,7,7-octakis-phenyl-1,3,5,2,4,6,7-trioxatetrasilepane
CID 5147975
2-(2-chlorophenyl)-2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinane
CID 154117208
3-methyl-3-phenyldioxasilirane
CID 57317747
(1,2-13C2)ethynylbenzene
CID 71309164
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
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
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
N-[bis(N-ethynylanilino)-methylsilyl]-N-ethynylaniline
CID 141263994

Frequently Asked Questions

What is the IUPAC name of 2,4,6-triethynyl-2,4,6-triphenyl-1,3,5,2,4,6-trioxatrisilinane?
The IUPAC name of 2,4,6-triethynyl-2,4,6-triphenyl-1,3,5,2,4,6-trioxatrisilinane (CID 174007685) is 2,4,6-triethynyl-2,4,6-triphenyl-1,3,5,2,4,6-trioxatrisilinane.
What is the SMILES notation for 2,4,6-triethynyl-2,4,6-triphenyl-1,3,5,2,4,6-trioxatrisilinane?
The canonical SMILES for 2,4,6-triethynyl-2,4,6-triphenyl-1,3,5,2,4,6-trioxatrisilinane is C#C[Si]1(c2ccccc2)O[Si](C#C)(c2ccccc2)O[Si](C#C)(c2ccccc2)O1.
What is the InChIKey of 2,4,6-triethynyl-2,4,6-triphenyl-1,3,5,2,4,6-trioxatrisilinane?
The InChIKey is SWYJJYHMWMYMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O3Si3/c1-4-28(22-16-10-7-11-17-22)25-29(5-2,23-18-12-8-13-19-23)27-30(6-3,26-28)24-20-14-9-15-21-24/h1-3,7-21H.
What are the key properties of 2,4,6-triethynyl-2,4,6-triphenyl-1,3,5,2,4,6-trioxatrisilinane?
2,4,6-triethynyl-2,4,6-triphenyl-1,3,5,2,4,6-trioxatrisilinane has a molecular weight of 438.66 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triethynyl-2,4,6-triphenyl-1,3,5,2,4,6-trioxatrisilinane is sourced from PubChem (CID 174007685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).