2-benzyl-1,1,3,3-tetramethyl-2,1,3-benzazadisilole

C17H23NSi2 — CID 14874797

IUPAC2-benzyl-1,1,3,3-tetramethyl-2,1,3-benzazadisilole
SMILESC[Si]1(C)c2ccccc2[Si](C)(C)N1Cc1ccccc1
InChIInChI=1S/C17H23NSi2/c1-19(2)16-12-8-9-13-17(16)20(3,4)18(19)14-15-10-6-5-7-11-15/h5-13H,14H2,1-4H3
InChIKeyCQXGCFFNSLTAJW-UHFFFAOYSA-N
MW297.55 g/mol
LogP3.03
Rot. Bonds2

About 2-benzyl-1,1,3,3-tetramethyl-2,1,3-benzazadisilole

2-benzyl-1,1,3,3-tetramethyl-2,1,3-benzazadisilole (PubChem CID 14874797) has the molecular formula C17H23NSi2 and a molecular weight of 297.55 g/mol. Its IUPAC name is 2-benzyl-1,1,3,3-tetramethyl-2,1,3-benzazadisilole.

Molecular Properties

Compound Name2-benzyl-1,1,3,3-tetramethyl-2,1,3-benzazadisilole
PubChem CID14874797
Molecular FormulaC17H23NSi2
Molecular Weight297.55 g/mol
Exact Mass297.14
IUPAC Name2-benzyl-1,1,3,3-tetramethyl-2,1,3-benzazadisilole
SMILESC[Si]1(C)c2ccccc2[Si](C)(C)N1Cc1ccccc1
InChIInChI=1S/C17H23NSi2/c1-19(2)16-12-8-9-13-17(16)20(3,4)18(19)14-15-10-6-5-7-11-15/h5-13H,14H2,1-4H3
InChIKeyCQXGCFFNSLTAJW-UHFFFAOYSA-N
XLogP3.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.55
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-benzyl-1,1,3,3-tetramethyl-2,1,3-benzazadisilole?
The IUPAC name of 2-benzyl-1,1,3,3-tetramethyl-2,1,3-benzazadisilole (CID 14874797) is 2-benzyl-1,1,3,3-tetramethyl-2,1,3-benzazadisilole.
What is the SMILES notation for 2-benzyl-1,1,3,3-tetramethyl-2,1,3-benzazadisilole?
The canonical SMILES for 2-benzyl-1,1,3,3-tetramethyl-2,1,3-benzazadisilole is C[Si]1(C)c2ccccc2[Si](C)(C)N1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1,1,3,3-tetramethyl-2,1,3-benzazadisilole?
The InChIKey is CQXGCFFNSLTAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NSi2/c1-19(2)16-12-8-9-13-17(16)20(3,4)18(19)14-15-10-6-5-7-11-15/h5-13H,14H2,1-4H3.
What are the key properties of 2-benzyl-1,1,3,3-tetramethyl-2,1,3-benzazadisilole?
2-benzyl-1,1,3,3-tetramethyl-2,1,3-benzazadisilole has a molecular weight of 297.55 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,1,3,3-tetramethyl-2,1,3-benzazadisilole is sourced from PubChem (CID 14874797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).