2,2,4,4,9,9,11,11-octamethyl-3,10-diaza-2,4,9,11-tetrasilatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene

C20H34N2Si4 — CID 139170392

IUPAC2,2,4,4,9,9,11,11-octamethyl-3,10-diaza-2,4,9,11-tetrasilatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene
SMILESC[Si]1(C)N[Si](C)(C)c2ccc(cc2)[Si](C)(C)N[Si](C)(C)c2ccc1cc2
InChIInChI=1S/C20H34N2Si4/c1-23(2)17-9-11-19(12-10-17)25(5,6)22-26(7,8)20-15-13-18(14-16-20)24(3,4)21-23/h9-16,21-22H,1-8H3
InChIKeyDUYGHQDGXSWSEW-UHFFFAOYSA-N
MW414.85 g/mol
LogP2.23
Rot. Bonds

About 2,2,4,4,9,9,11,11-octamethyl-3,10-diaza-2,4,9,11-tetrasilatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene

2,2,4,4,9,9,11,11-octamethyl-3,10-diaza-2,4,9,11-tetrasilatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene (PubChem CID 139170392) has the molecular formula C20H34N2Si4 and a molecular weight of 414.85 g/mol. Its IUPAC name is 2,2,4,4,9,9,11,11-octamethyl-3,10-diaza-2,4,9,11-tetrasilatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene.

Molecular Properties

Compound Name2,2,4,4,9,9,11,11-octamethyl-3,10-diaza-2,4,9,11-tetrasilatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene
PubChem CID139170392
Molecular FormulaC20H34N2Si4
Molecular Weight414.85 g/mol
Exact Mass414.18
IUPAC Name2,2,4,4,9,9,11,11-octamethyl-3,10-diaza-2,4,9,11-tetrasilatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene
SMILESC[Si]1(C)N[Si](C)(C)c2ccc(cc2)[Si](C)(C)N[Si](C)(C)c2ccc1cc2
InChIInChI=1S/C20H34N2Si4/c1-23(2)17-9-11-19(12-10-17)25(5,6)22-26(7,8)20-15-13-18(14-16-20)24(3,4)21-23/h9-16,21-22H,1-8H3
InChIKeyDUYGHQDGXSWSEW-UHFFFAOYSA-N
XLogP2.23
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.85
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,4,4,9,9,11,11-octamethyl-3,10-diaza-2,4,9,11-tetrasilatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,9,9,11,11-octamethyl-3,10-diaza-2,4,9,11-tetrasilatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene?
The IUPAC name of 2,2,4,4,9,9,11,11-octamethyl-3,10-diaza-2,4,9,11-tetrasilatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene (CID 139170392) is 2,2,4,4,9,9,11,11-octamethyl-3,10-diaza-2,4,9,11-tetrasilatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene.
What is the SMILES notation for 2,2,4,4,9,9,11,11-octamethyl-3,10-diaza-2,4,9,11-tetrasilatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene?
The canonical SMILES for 2,2,4,4,9,9,11,11-octamethyl-3,10-diaza-2,4,9,11-tetrasilatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene is C[Si]1(C)N[Si](C)(C)c2ccc(cc2)[Si](C)(C)N[Si](C)(C)c2ccc1cc2.
What is the InChIKey of 2,2,4,4,9,9,11,11-octamethyl-3,10-diaza-2,4,9,11-tetrasilatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene?
The InChIKey is DUYGHQDGXSWSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2Si4/c1-23(2)17-9-11-19(12-10-17)25(5,6)22-26(7,8)20-15-13-18(14-16-20)24(3,4)21-23/h9-16,21-22H,1-8H3.
What are the key properties of 2,2,4,4,9,9,11,11-octamethyl-3,10-diaza-2,4,9,11-tetrasilatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene?
2,2,4,4,9,9,11,11-octamethyl-3,10-diaza-2,4,9,11-tetrasilatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene has a molecular weight of 414.85 g/mol, XLogP of 2.23, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,9,9,11,11-octamethyl-3,10-diaza-2,4,9,11-tetrasilatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene is sourced from PubChem (CID 139170392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).