8,11,11-trimethyl-4-phenyl-9-trimethylsilyl-2,4,6-triazatetracyclo[5.5.0.02,6.08,12]dodec-9-ene-3,5-dione

C21H27N3O2Si — CID 552143

IUPAC8,11,11-trimethyl-4-phenyl-9-trimethylsilyl-2,4,6-triazatetracyclo[5.5.0.02,6.08,12]dodec-9-ene-3,5-dione
SMILESCC1(C)C=C([Si](C)(C)C)C2(C)C3C(C12)n1c(=O)n(-c2ccccc2)c(=O)n13
InChIInChI=1S/C21H27N3O2Si/c1-20(2)12-14(27(4,5)6)21(3)16(20)15-17(21)24-19(26)22(18(25)23(15)24)13-10-8-7-9-11-13/h7-12,15-17H,1-6H3
InChIKeySGJUPSSSXMCVPO-UHFFFAOYSA-N
MW381.55 g/mol
LogP3.38
Rot. Bonds2

About 8,11,11-trimethyl-4-phenyl-9-trimethylsilyl-2,4,6-triazatetracyclo[5.5.0.02,6.08,12]dodec-9-ene-3,5-dione

8,11,11-trimethyl-4-phenyl-9-trimethylsilyl-2,4,6-triazatetracyclo[5.5.0.02,6.08,12]dodec-9-ene-3,5-dione (PubChem CID 552143) has the molecular formula C21H27N3O2Si and a molecular weight of 381.55 g/mol. Its IUPAC name is 8,11,11-trimethyl-4-phenyl-9-trimethylsilyl-2,4,6-triazatetracyclo[5.5.0.02,6.08,12]dodec-9-ene-3,5-dione.

Molecular Properties

Compound Name8,11,11-trimethyl-4-phenyl-9-trimethylsilyl-2,4,6-triazatetracyclo[5.5.0.02,6.08,12]dodec-9-ene-3,5-dione
PubChem CID552143
Molecular FormulaC21H27N3O2Si
Molecular Weight381.55 g/mol
Exact Mass381.19
IUPAC Name8,11,11-trimethyl-4-phenyl-9-trimethylsilyl-2,4,6-triazatetracyclo[5.5.0.02,6.08,12]dodec-9-ene-3,5-dione
SMILESCC1(C)C=C([Si](C)(C)C)C2(C)C3C(C12)n1c(=O)n(-c2ccccc2)c(=O)n13
InChIInChI=1S/C21H27N3O2Si/c1-20(2)12-14(27(4,5)6)21(3)16(20)15-17(21)24-19(26)22(18(25)23(15)24)13-10-8-7-9-11-13/h7-12,15-17H,1-6H3
InChIKeySGJUPSSSXMCVPO-UHFFFAOYSA-N
XLogP3.38
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8,11,11-trimethyl-4-phenyl-9-trimethylsilyl-2,4,6-triazatetracyclo[5.5.0.02,6.08,12]dodec-9-ene-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8,11,11-trimethyl-4-phenyl-9-trimethylsilyl-2,4,6-triazatetracyclo[5.5.0.02,6.08,12]dodec-9-ene-3,5-dione?
The IUPAC name of 8,11,11-trimethyl-4-phenyl-9-trimethylsilyl-2,4,6-triazatetracyclo[5.5.0.02,6.08,12]dodec-9-ene-3,5-dione (CID 552143) is 8,11,11-trimethyl-4-phenyl-9-trimethylsilyl-2,4,6-triazatetracyclo[5.5.0.02,6.08,12]dodec-9-ene-3,5-dione.
What is the SMILES notation for 8,11,11-trimethyl-4-phenyl-9-trimethylsilyl-2,4,6-triazatetracyclo[5.5.0.02,6.08,12]dodec-9-ene-3,5-dione?
The canonical SMILES for 8,11,11-trimethyl-4-phenyl-9-trimethylsilyl-2,4,6-triazatetracyclo[5.5.0.02,6.08,12]dodec-9-ene-3,5-dione is CC1(C)C=C([Si](C)(C)C)C2(C)C3C(C12)n1c(=O)n(-c2ccccc2)c(=O)n13.
What is the InChIKey of 8,11,11-trimethyl-4-phenyl-9-trimethylsilyl-2,4,6-triazatetracyclo[5.5.0.02,6.08,12]dodec-9-ene-3,5-dione?
The InChIKey is SGJUPSSSXMCVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2Si/c1-20(2)12-14(27(4,5)6)21(3)16(20)15-17(21)24-19(26)22(18(25)23(15)24)13-10-8-7-9-11-13/h7-12,15-17H,1-6H3.
What are the key properties of 8,11,11-trimethyl-4-phenyl-9-trimethylsilyl-2,4,6-triazatetracyclo[5.5.0.02,6.08,12]dodec-9-ene-3,5-dione?
8,11,11-trimethyl-4-phenyl-9-trimethylsilyl-2,4,6-triazatetracyclo[5.5.0.02,6.08,12]dodec-9-ene-3,5-dione has a molecular weight of 381.55 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,11,11-trimethyl-4-phenyl-9-trimethylsilyl-2,4,6-triazatetracyclo[5.5.0.02,6.08,12]dodec-9-ene-3,5-dione is sourced from PubChem (CID 552143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).