2,13,13-trimethyl-2-aza-13-silapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene

C23H21NSi — CID 58185036

IUPAC2,13,13-trimethyl-2-aza-13-silapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene
SMILESCN1c2cc3ccccc3cc2[Si](C)(C)c2ccc3ccccc3c21
InChIInChI=1S/C23H21NSi/c1-24-20-14-17-9-4-5-10-18(17)15-22(20)25(2,3)21-13-12-16-8-6-7-11-19(16)23(21)24/h4-15H,1-3H3
InChIKeyUSTOGIONIBDGNL-UHFFFAOYSA-N
MW339.51 g/mol
LogP4.90
Rot. Bonds

About 2,13,13-trimethyl-2-aza-13-silapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene

2,13,13-trimethyl-2-aza-13-silapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene (PubChem CID 58185036) has the molecular formula C23H21NSi and a molecular weight of 339.51 g/mol. Its IUPAC name is 2,13,13-trimethyl-2-aza-13-silapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene.

Molecular Properties

Compound Name2,13,13-trimethyl-2-aza-13-silapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene
PubChem CID58185036
Molecular FormulaC23H21NSi
Molecular Weight339.51 g/mol
Exact Mass339.14
IUPAC Name2,13,13-trimethyl-2-aza-13-silapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene
SMILESCN1c2cc3ccccc3cc2[Si](C)(C)c2ccc3ccccc3c21
InChIInChI=1S/C23H21NSi/c1-24-20-14-17-9-4-5-10-18(17)15-22(20)25(2,3)21-13-12-16-8-6-7-11-19(16)23(21)24/h4-15H,1-3H3
InChIKeyUSTOGIONIBDGNL-UHFFFAOYSA-N
XLogP4.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,13,13-trimethyl-2-aza-13-silapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,13,13-trimethyl-2-aza-13-silapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene?
The IUPAC name of 2,13,13-trimethyl-2-aza-13-silapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene (CID 58185036) is 2,13,13-trimethyl-2-aza-13-silapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene.
What is the SMILES notation for 2,13,13-trimethyl-2-aza-13-silapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene?
The canonical SMILES for 2,13,13-trimethyl-2-aza-13-silapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene is CN1c2cc3ccccc3cc2[Si](C)(C)c2ccc3ccccc3c21.
What is the InChIKey of 2,13,13-trimethyl-2-aza-13-silapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene?
The InChIKey is USTOGIONIBDGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NSi/c1-24-20-14-17-9-4-5-10-18(17)15-22(20)25(2,3)21-13-12-16-8-6-7-11-19(16)23(21)24/h4-15H,1-3H3.
What are the key properties of 2,13,13-trimethyl-2-aza-13-silapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene?
2,13,13-trimethyl-2-aza-13-silapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene has a molecular weight of 339.51 g/mol, XLogP of 4.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,13,13-trimethyl-2-aza-13-silapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene is sourced from PubChem (CID 58185036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).