13,13-dimethyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;14,14-dimethyl-1-aza-10-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;17-(2,6-dimethylphenyl)-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;13,13-diphenyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;14,14-diphenyl-1-aza-10-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;13-oxa-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene

C139H108N12OSi4+6 — CID 158404167

About 13,13-dimethyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;14,14-dimethyl-1-aza-10-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;17-(2,6-dimethylphenyl)-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;13,13-diphenyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;14,14-diphenyl-1-aza-10-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;13-oxa-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene

13,13-dimethyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;14,14-dimethyl-1-aza-10-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;17-(2,6-dimethylphenyl)-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;13,13-diphenyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;14,14-diphenyl-1-aza-10-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;13-oxa-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene (PubChem CID 158404167) has the molecular formula C139H108N12OSi4+6 and a molecular weight of 2074.82 g/mol. Its IUPAC name is 13,13-dimethyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;14,14-dimethyl-1-aza-10-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;17-(2,6-dimethylphenyl)-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;13,13-diphenyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;14,14-diphenyl-1-aza-10-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;13-oxa-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene.

Molecular Properties

• Compound Name: 13,13-dimethyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;14,14-dimethyl-1-aza-10-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;17-(2,6-dimethylphenyl)-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;13,13-diphenyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;14,14-diphenyl-1-aza-10-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;13-oxa-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene
• PubChem CID: 158404167
• Molecular Formula: C139H108N12OSi4+6
• Molecular Weight: 2074.82 g/mol
• Exact Mass: 2072.78
• IUPAC Name: 13,13-dimethyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;14,14-dimethyl-1-aza-10-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;17-(2,6-dimethylphenyl)-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;13,13-diphenyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;14,14-diphenyl-1-aza-10-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;13-oxa-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene
• SMILES: C[Si]1(C)Cc2c[n+]3c4c5c(cccc5c5cccc1c5n24)C3.C[Si]1(C)Cc2cccc3c4cccc5c4c4n(c1c[n+]4C5)c23.Cc1cccc(C)c1-c1cc2c3c(c1)c1cccc4c1c1n3c(c[n+]1C4)CC2.c1cc2c3c(c1)c1cccc4c1n1c(c[n+](c31)C2)OC4.c1ccc([Si]2(c3ccccc3)Cc3c[n+]4c5c6c(cccc6c6cccc2c6n35)C4)cc1.c1ccc([Si]2(c3ccccc3)Cc3cccc4c5cccc6c5c5n(c2c[n+]5C6)c34)cc1
• InChI: InChI=1S/2C29H21N2Si.C26H21N2.2C19H17N2Si.C17H11N2O/c1-3-11-22(12-4-1)32(23-13-5-2-6-14-23)19-21-10-8-16-25-24-15-7-9-20-17-30-18-26(32)31(28(21)25)29(30)27(20)24;1-3-10-22(11-4-1)32(23-12-5-2-6-13-23)19-21-18-30-17-20-9-7-14-24-25-15-8-16-26(32)28(25)31(21)29(30)27(20)24;1-15-5-3-6-16(2)23(15)19-11-17-9-10-20-14-27-13-18-7-4-8-21-22(12-19)25(17)28(20)26(27)24(18)21;1-22(2)11-13-6-4-8-15-14-7-3-5-12-9-20-10-16(22)21(18(13)15)19(20)17(12)14;1-22(2)11-13-10-20-9-12-5-3-6-14-15-7-4-8-16(22)18(15)21(13)19(20)17(12)14;1-3-10-7-18-8-14-19-16-11(9-20-14)4-2-6-13(16)12(5-1)15(10)17(18)19/h2*1-16,18H,17,19H2;3-8,11-12,14H,9-10,13H2,1-2H3;2*3-8,10H,9,11H2,1-2H3;1-6,8H,7,9H2/q6*+1
• InChIKey: SJGHBALFWGATPG-UHFFFAOYSA-N
• XLogP: 20.80
• TPSA: 58.97 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2074.82
LogP ≤ 5	20.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', '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 13,13-dimethyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;14,14-dimethyl-1-aza-10-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;17-(2,6-dimethylphenyl)-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;13,13-diphenyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;14,14-diphenyl-1-aza-10-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;13-oxa-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene?

The IUPAC name of 13,13-dimethyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;14,14-dimethyl-1-aza-10-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;17-(2,6-dimethylphenyl)-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;13,13-diphenyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;14,14-diphenyl-1-aza-10-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;13-oxa-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene (CID 158404167) is 13,13-dimethyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;14,14-dimethyl-1-aza-10-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;17-(2,6-dimethylphenyl)-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;13,13-diphenyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;14,14-diphenyl-1-aza-10-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;13-oxa-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene.

What is the SMILES notation for 13,13-dimethyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;14,14-dimethyl-1-aza-10-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;17-(2,6-dimethylphenyl)-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;13,13-diphenyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;14,14-diphenyl-1-aza-10-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;13-oxa-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene?

The canonical SMILES for 13,13-dimethyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;14,14-dimethyl-1-aza-10-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;17-(2,6-dimethylphenyl)-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;13,13-diphenyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;14,14-diphenyl-1-aza-10-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;13-oxa-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene is C[Si]1(C)Cc2c[n+]3c4c5c(cccc5c5cccc1c5n24)C3.C[Si]1(C)Cc2cccc3c4cccc5c4c4n(c1c[n+]4C5)c23.Cc1cccc(C)c1-c1cc2c3c(c1)c1cccc4c1c1n3c(c[n+]1C4)CC2.c1cc2c3c(c1)c1cccc4c1n1c(c[n+](c31)C2)OC4.c1ccc([Si]2(c3ccccc3)Cc3c[n+]4c5c6c(cccc6c6cccc2c6n35)C4)cc1.c1ccc([Si]2(c3ccccc3)Cc3cccc4c5cccc6c5c5n(c2c[n+]5C6)c34)cc1.

What is the InChIKey of 13,13-dimethyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;14,14-dimethyl-1-aza-10-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;17-(2,6-dimethylphenyl)-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;13,13-diphenyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;14,14-diphenyl-1-aza-10-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;13-oxa-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene?

The InChIKey is SJGHBALFWGATPG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H21N2Si.C26H21N2.2C19H17N2Si.C17H11N2O/c1-3-11-22(12-4-1)32(23-13-5-2-6-14-23)19-21-10-8-16-25-24-15-7-9-20-17-30-18-26(32)31(28(21)25)29(30)27(20)24;1-3-10-22(11-4-1)32(23-12-5-2-6-13-23)19-21-18-30-17-20-9-7-14-24-25-15-8-16-26(32)28(25)31(21)29(30)27(20)24;1-15-5-3-6-16(2)23(15)19-11-17-9-10-20-14-27-13-18-7-4-8-21-22(12-19)25(17)28(20)26(27)24(18)21;1-22(2)11-13-6-4-8-15-14-7-3-5-12-9-20-10-16(22)21(18(13)15)19(20)17(12)14;1-22(2)11-13-10-20-9-12-5-3-6-14-15-7-4-8-16(22)18(15)21(13)19(20)17(12)14;1-3-10-7-18-8-14-19-16-11(9-20-14)4-2-6-13(16)12(5-1)15(10)17(18)19/h2*1-16,18H,17,19H2;3-8,11-12,14H,9-10,13H2,1-2H3;2*3-8,10H,9,11H2,1-2H3;1-6,8H,7,9H2/q6*+1.

What are the key properties of 13,13-dimethyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;14,14-dimethyl-1-aza-10-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;17-(2,6-dimethylphenyl)-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;13,13-diphenyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;14,14-diphenyl-1-aza-10-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;13-oxa-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene?

13,13-dimethyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;14,14-dimethyl-1-aza-10-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;17-(2,6-dimethylphenyl)-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;13,13-diphenyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;14,14-diphenyl-1-aza-10-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;13-oxa-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene has a molecular weight of 2074.82 g/mol, XLogP of 20.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 13,13-dimethyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;14,14-dimethyl-1-aza-10-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;17-(2,6-dimethylphenyl)-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;13,13-diphenyl-1-aza-10-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene;14,14-diphenyl-1-aza-10-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;13-oxa-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene is sourced from PubChem (CID 158404167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).