trimethyl-(3,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)silane

C27H27N2Si+ — CID 170684969

About trimethyl-(3,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)silane

trimethyl-(3,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)silane (PubChem CID 170684969) has the molecular formula C27H27N2Si+ and a molecular weight of 407.61 g/mol. Its IUPAC name is trimethyl-(3,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)silane.

Molecular Properties

• Compound Name: trimethyl-(3,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)silane
• PubChem CID: 170684969
• Molecular Formula: C27H27N2Si+
• Molecular Weight: 407.61 g/mol
• Exact Mass: 407.19
• IUPAC Name: trimethyl-(3,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)silane
• SMILES: Cc1ccc2c3cccc(C)c3n3c4cc([Si](C)(C)C)cc5cc[n+](C)c(c1c23)c54
• InChI: InChI=1S/C27H27N2Si/c1-16-10-11-21-20-9-7-8-17(2)25(20)29-22-15-19(30(4,5)6)14-18-12-13-28(3)27(24(18)22)23(16)26(21)29/h7-15H,1-6H3/q+1
• InChIKey: QKVPUGDSAZXFFN-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 8.29 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	407.61
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trimethyl-(3,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)silane?

The IUPAC name of trimethyl-(3,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)silane (CID 170684969) is trimethyl-(3,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)silane.

What is the SMILES notation for trimethyl-(3,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)silane?

The canonical SMILES for trimethyl-(3,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)silane is Cc1ccc2c3cccc(C)c3n3c4cc([Si](C)(C)C)cc5cc[n+](C)c(c1c23)c54.

What is the InChIKey of trimethyl-(3,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)silane?

The InChIKey is QKVPUGDSAZXFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N2Si/c1-16-10-11-21-20-9-7-8-17(2)25(20)29-22-15-19(30(4,5)6)14-18-12-13-28(3)27(24(18)22)23(16)26(21)29/h7-15H,1-6H3/q+1.

What are the key properties of trimethyl-(3,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)silane?

trimethyl-(3,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)silane has a molecular weight of 407.61 g/mol, XLogP of 5.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-(3,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)silane is sourced from PubChem (CID 170684969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).