2-N,2-N'-ditert-butyl-4,4,6,6-tetraphenyl-1,3,5,2,4,6-trioxatrisilinane-2,2-diamine

C32H40N2O3Si3 — CID 139069872

IUPAC2-N,2-N'-ditert-butyl-4,4,6,6-tetraphenyl-1,3,5,2,4,6-trioxatrisilinane-2,2-diamine
SMILESCC(C)(C)N[Si]1(NC(C)(C)C)O[Si](c2ccccc2)(c2ccccc2)O[Si](c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C32H40N2O3Si3/c1-31(2,3)33-40(34-32(4,5)6)36-38(27-19-11-7-12-20-27,28-21-13-8-14-22-28)35-39(37-40,29-23-15-9-16-24-29)30-25-17-10-18-26-30/h7-26,33-34H,1-6H3
InChIKeyJTWSRNBGSPEPTK-UHFFFAOYSA-N
MW584.94 g/mol
LogP3.77
Rot. Bonds6

About 2-N,2-N'-ditert-butyl-4,4,6,6-tetraphenyl-1,3,5,2,4,6-trioxatrisilinane-2,2-diamine

2-N,2-N'-ditert-butyl-4,4,6,6-tetraphenyl-1,3,5,2,4,6-trioxatrisilinane-2,2-diamine (PubChem CID 139069872) has the molecular formula C32H40N2O3Si3 and a molecular weight of 584.94 g/mol. Its IUPAC name is 2-N,2-N'-ditert-butyl-4,4,6,6-tetraphenyl-1,3,5,2,4,6-trioxatrisilinane-2,2-diamine.

Molecular Properties

Compound Name2-N,2-N'-ditert-butyl-4,4,6,6-tetraphenyl-1,3,5,2,4,6-trioxatrisilinane-2,2-diamine
PubChem CID139069872
Molecular FormulaC32H40N2O3Si3
Molecular Weight584.94 g/mol
Exact Mass584.23
IUPAC Name2-N,2-N'-ditert-butyl-4,4,6,6-tetraphenyl-1,3,5,2,4,6-trioxatrisilinane-2,2-diamine
SMILESCC(C)(C)N[Si]1(NC(C)(C)C)O[Si](c2ccccc2)(c2ccccc2)O[Si](c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C32H40N2O3Si3/c1-31(2,3)33-40(34-32(4,5)6)36-38(27-19-11-7-12-20-27,28-21-13-8-14-22-28)35-39(37-40,29-23-15-9-16-24-29)30-25-17-10-18-26-30/h7-26,33-34H,1-6H3
InChIKeyJTWSRNBGSPEPTK-UHFFFAOYSA-N
XLogP3.77
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.94
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-N,2-N'-ditert-butyl-4,4,6,6-tetraphenyl-1,3,5,2,4,6-trioxatrisilinane-2,2-diamine?
The IUPAC name of 2-N,2-N'-ditert-butyl-4,4,6,6-tetraphenyl-1,3,5,2,4,6-trioxatrisilinane-2,2-diamine (CID 139069872) is 2-N,2-N'-ditert-butyl-4,4,6,6-tetraphenyl-1,3,5,2,4,6-trioxatrisilinane-2,2-diamine.
What is the SMILES notation for 2-N,2-N'-ditert-butyl-4,4,6,6-tetraphenyl-1,3,5,2,4,6-trioxatrisilinane-2,2-diamine?
The canonical SMILES for 2-N,2-N'-ditert-butyl-4,4,6,6-tetraphenyl-1,3,5,2,4,6-trioxatrisilinane-2,2-diamine is CC(C)(C)N[Si]1(NC(C)(C)C)O[Si](c2ccccc2)(c2ccccc2)O[Si](c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of 2-N,2-N'-ditert-butyl-4,4,6,6-tetraphenyl-1,3,5,2,4,6-trioxatrisilinane-2,2-diamine?
The InChIKey is JTWSRNBGSPEPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N2O3Si3/c1-31(2,3)33-40(34-32(4,5)6)36-38(27-19-11-7-12-20-27,28-21-13-8-14-22-28)35-39(37-40,29-23-15-9-16-24-29)30-25-17-10-18-26-30/h7-26,33-34H,1-6H3.
What are the key properties of 2-N,2-N'-ditert-butyl-4,4,6,6-tetraphenyl-1,3,5,2,4,6-trioxatrisilinane-2,2-diamine?
2-N,2-N'-ditert-butyl-4,4,6,6-tetraphenyl-1,3,5,2,4,6-trioxatrisilinane-2,2-diamine has a molecular weight of 584.94 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N'-ditert-butyl-4,4,6,6-tetraphenyl-1,3,5,2,4,6-trioxatrisilinane-2,2-diamine is sourced from PubChem (CID 139069872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).