trimethyl-(12-phenyl-12,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-15-yl)silane

C28H24N2Si — CID 164749189

About trimethyl-(12-phenyl-12,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-15-yl)silane

trimethyl-(12-phenyl-12,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-15-yl)silane (PubChem CID 164749189) has the molecular formula C28H24N2Si and a molecular weight of 416.60 g/mol. Its IUPAC name is trimethyl-(12-phenyl-12,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-15-yl)silane.

Molecular Properties

• Compound Name: trimethyl-(12-phenyl-12,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-15-yl)silane
• PubChem CID: 164749189
• Molecular Formula: C28H24N2Si
• Molecular Weight: 416.60 g/mol
• Exact Mass: 416.17
• IUPAC Name: trimethyl-(12-phenyl-12,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-15-yl)silane
• SMILES: C[Si](C)(C)c1cc2c3c(nccc3c1)-c1ccc3ccccc3c1N2c1ccccc1
• InChI: InChI=1S/C28H24N2Si/c1-31(2,3)22-17-20-15-16-29-27-24-14-13-19-9-7-8-12-23(19)28(24)30(25(18-22)26(20)27)21-10-5-4-6-11-21/h4-18H,1-3H3
• InChIKey: RJWVYZIDRLXWME-UHFFFAOYSA-N
• XLogP: 7.38
• TPSA: 16.13 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.60
LogP ≤ 5	7.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trimethyl-(12-phenyl-12,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-15-yl)silane?

The IUPAC name of trimethyl-(12-phenyl-12,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-15-yl)silane (CID 164749189) is trimethyl-(12-phenyl-12,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-15-yl)silane.

What is the SMILES notation for trimethyl-(12-phenyl-12,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-15-yl)silane?

The canonical SMILES for trimethyl-(12-phenyl-12,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-15-yl)silane is C[Si](C)(C)c1cc2c3c(nccc3c1)-c1ccc3ccccc3c1N2c1ccccc1.

What is the InChIKey of trimethyl-(12-phenyl-12,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-15-yl)silane?

The InChIKey is RJWVYZIDRLXWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2Si/c1-31(2,3)22-17-20-15-16-29-27-24-14-13-19-9-7-8-12-23(19)28(24)30(25(18-22)26(20)27)21-10-5-4-6-11-21/h4-18H,1-3H3.

What are the key properties of trimethyl-(12-phenyl-12,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-15-yl)silane?

trimethyl-(12-phenyl-12,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-15-yl)silane has a molecular weight of 416.60 g/mol, XLogP of 7.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-(12-phenyl-12,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-15-yl)silane is sourced from PubChem (CID 164749189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).