triethyl-(5-isocyano-11,14-dimethyl-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

C30H30N3Si+ — CID 170685213

About triethyl-(5-isocyano-11,14-dimethyl-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-(5-isocyano-11,14-dimethyl-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 170685213) has the molecular formula C30H30N3Si+ and a molecular weight of 460.68 g/mol. Its IUPAC name is triethyl-(5-isocyano-11,14-dimethyl-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-(5-isocyano-11,14-dimethyl-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: 170685213
• Molecular Formula: C30H30N3Si+
• Molecular Weight: 460.68 g/mol
• Exact Mass: 460.22
• IUPAC Name: triethyl-(5-isocyano-11,14-dimethyl-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: [C-]#[N+]c1ccc2c(c1)c1ccc(C)c3c1n2c1cc([Si](CC)(CC)CC)cc2cc[n+](C)c3c21
• InChI: InChI=1S/C30H30N3Si/c1-7-34(8-2,9-3)22-16-20-14-15-32(6)30-27-19(4)10-12-23-24-17-21(31-5)11-13-25(24)33(29(23)27)26(18-22)28(20)30/h10-18H,7-9H2,1-4,6H3/q+1
• InChIKey: DZNGFDKOWAVISL-UHFFFAOYSA-N
• XLogP: 7.39
• TPSA: 12.65 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.68
LogP ≤ 5	7.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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-(5-isocyano-11,14-dimethyl-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-(5-isocyano-11,14-dimethyl-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 170685213) is triethyl-(5-isocyano-11,14-dimethyl-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-(5-isocyano-11,14-dimethyl-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-(5-isocyano-11,14-dimethyl-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 [C-]#[N+]c1ccc2c(c1)c1ccc(C)c3c1n2c1cc([Si](CC)(CC)CC)cc2cc[n+](C)c3c21.

What is the InChIKey of triethyl-(5-isocyano-11,14-dimethyl-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 DZNGFDKOWAVISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N3Si/c1-7-34(8-2,9-3)22-16-20-14-15-32(6)30-27-19(4)10-12-23-24-17-21(31-5)11-13-25(24)33(29(23)27)26(18-22)28(20)30/h10-18H,7-9H2,1-4,6H3/q+1.

What are the key properties of triethyl-(5-isocyano-11,14-dimethyl-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-(5-isocyano-11,14-dimethyl-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 460.68 g/mol, XLogP of 7.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for triethyl-(5-isocyano-11,14-dimethyl-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 170685213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).