triethyl-(6-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)silane

C30H32FN2Si+ — CID 166030456

About triethyl-(6-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)silane

triethyl-(6-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)silane (PubChem CID 166030456) has the molecular formula C30H32FN2Si+ and a molecular weight of 467.68 g/mol. Its IUPAC name is triethyl-(6-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)silane.

Molecular Properties

• Compound Name: triethyl-(6-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)silane
• PubChem CID: 166030456
• Molecular Formula: C30H32FN2Si+
• Molecular Weight: 467.68 g/mol
• Exact Mass: 467.23
• IUPAC Name: triethyl-(6-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)silane
• SMILES: CC[Si](CC)(CC)c1cc2cc[n+](C)c3c4c(C)c(C)cc5c6c(F)cccc6n(c(c1)c23)c54
• InChI: InChI=1S/C30H32FN2Si/c1-7-34(8-2,9-3)21-16-20-13-14-32(6)30-26-19(5)18(4)15-22-28-23(31)11-10-12-24(28)33(29(22)26)25(17-21)27(20)30/h10-17H,7-9H2,1-6H3/q+1
• InChIKey: DWNFTPPDIOWGMA-UHFFFAOYSA-N
• XLogP: 7.29
• TPSA: 8.29 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.68
LogP ≤ 5	7.29
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 triethyl-(6-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)silane?

The IUPAC name of triethyl-(6-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)silane (CID 166030456) is triethyl-(6-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)silane.

What is the SMILES notation for triethyl-(6-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)silane?

The canonical SMILES for triethyl-(6-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)silane is CC[Si](CC)(CC)c1cc2cc[n+](C)c3c4c(C)c(C)cc5c6c(F)cccc6n(c(c1)c23)c54.

What is the InChIKey of triethyl-(6-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)silane?

The InChIKey is DWNFTPPDIOWGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN2Si/c1-7-34(8-2,9-3)21-16-20-13-14-32(6)30-26-19(5)18(4)15-22-28-23(31)11-10-12-24(28)33(29(22)26)25(17-21)27(20)30/h10-17H,7-9H2,1-6H3/q+1.

What are the key properties of triethyl-(6-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)silane?

triethyl-(6-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)silane has a molecular weight of 467.68 g/mol, XLogP of 7.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for triethyl-(6-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl)silane is sourced from PubChem (CID 166030456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).