2,2,4,4,6,6-hexakis-phenyl-1,3,5,2,4,6-triazatrisilinane

C36H33N3Si3 — CID 635734

IUPAC2,2,4,4,6,6-hexakis-phenyl-1,3,5,2,4,6-triazatrisilinane
SMILESc1ccc([Si]2(c3ccccc3)N[Si](c3ccccc3)(c3ccccc3)N[Si](c3ccccc3)(c3ccccc3)N2)cc1
InChIInChI=1S/C36H33N3Si3/c1-7-19-31(20-8-1)40(32-21-9-2-10-22-32)37-41(33-23-11-3-12-24-33,34-25-13-4-14-26-34)39-42(38-40,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30,37-39H
InChIKeySHWQWXGIWFEYTA-UHFFFAOYSA-N
MW591.94 g/mol
LogP2.54
Rot. Bonds6

About 2,2,4,4,6,6-hexakis-phenyl-1,3,5,2,4,6-triazatrisilinane

2,2,4,4,6,6-hexakis-phenyl-1,3,5,2,4,6-triazatrisilinane (PubChem CID 635734) has the molecular formula C36H33N3Si3 and a molecular weight of 591.94 g/mol. Its IUPAC name is 2,2,4,4,6,6-hexakis-phenyl-1,3,5,2,4,6-triazatrisilinane.

Molecular Properties

Compound Name2,2,4,4,6,6-hexakis-phenyl-1,3,5,2,4,6-triazatrisilinane
PubChem CID635734
Molecular FormulaC36H33N3Si3
Molecular Weight591.94 g/mol
Exact Mass591.20
IUPAC Name2,2,4,4,6,6-hexakis-phenyl-1,3,5,2,4,6-triazatrisilinane
SMILESc1ccc([Si]2(c3ccccc3)N[Si](c3ccccc3)(c3ccccc3)N[Si](c3ccccc3)(c3ccccc3)N2)cc1
InChIInChI=1S/C36H33N3Si3/c1-7-19-31(20-8-1)40(32-21-9-2-10-22-32)37-41(33-23-11-3-12-24-33,34-25-13-4-14-26-34)39-42(38-40,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30,37-39H
InChIKeySHWQWXGIWFEYTA-UHFFFAOYSA-N
XLogP2.54
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500591.94
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-hexakis-phenyl-1,3,5,2,4,6-triazatrisilinane?
The IUPAC name of 2,2,4,4,6,6-hexakis-phenyl-1,3,5,2,4,6-triazatrisilinane (CID 635734) is 2,2,4,4,6,6-hexakis-phenyl-1,3,5,2,4,6-triazatrisilinane.
What is the SMILES notation for 2,2,4,4,6,6-hexakis-phenyl-1,3,5,2,4,6-triazatrisilinane?
The canonical SMILES for 2,2,4,4,6,6-hexakis-phenyl-1,3,5,2,4,6-triazatrisilinane is c1ccc([Si]2(c3ccccc3)N[Si](c3ccccc3)(c3ccccc3)N[Si](c3ccccc3)(c3ccccc3)N2)cc1.
What is the InChIKey of 2,2,4,4,6,6-hexakis-phenyl-1,3,5,2,4,6-triazatrisilinane?
The InChIKey is SHWQWXGIWFEYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33N3Si3/c1-7-19-31(20-8-1)40(32-21-9-2-10-22-32)37-41(33-23-11-3-12-24-33,34-25-13-4-14-26-34)39-42(38-40,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30,37-39H.
What are the key properties of 2,2,4,4,6,6-hexakis-phenyl-1,3,5,2,4,6-triazatrisilinane?
2,2,4,4,6,6-hexakis-phenyl-1,3,5,2,4,6-triazatrisilinane has a molecular weight of 591.94 g/mol, XLogP of 2.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6-hexakis-phenyl-1,3,5,2,4,6-triazatrisilinane is sourced from PubChem (CID 635734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).