11-methyl-10-aza-1-azoniahexacyclo[10.9.0.02,10.03,8.04,20.016,21]henicosa-1,3(8),4,6,11,16(21),17,19-octaene;11-methyl-13,13-diphenyl-14-oxa-10-aza-1-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-14,14-diphenyl-13-oxa-10-aza-1-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-17-propan-2-yl-10-aza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15(20),16,18-octaene;11,13,13-trimethyl-14-oxa-10-aza-1-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11,14,14-trimethyl-13-oxa-10-aza-1-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene

C138H114N12O4Si4+6 — CID 157263376

About 11-methyl-10-aza-1-azoniahexacyclo[10.9.0.02,10.03,8.04,20.016,21]henicosa-1,3(8),4,6,11,16(21),17,19-octaene;11-methyl-13,13-diphenyl-14-oxa-10-aza-1-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-14,14-diphenyl-13-oxa-10-aza-1-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-17-propan-2-yl-10-aza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15(20),16,18-octaene;11,13,13-trimethyl-14-oxa-10-aza-1-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11,14,14-trimethyl-13-oxa-10-aza-1-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene

11-methyl-10-aza-1-azoniahexacyclo[10.9.0.02,10.03,8.04,20.016,21]henicosa-1,3(8),4,6,11,16(21),17,19-octaene;11-methyl-13,13-diphenyl-14-oxa-10-aza-1-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-14,14-diphenyl-13-oxa-10-aza-1-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-17-propan-2-yl-10-aza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15(20),16,18-octaene;11,13,13-trimethyl-14-oxa-10-aza-1-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11,14,14-trimethyl-13-oxa-10-aza-1-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene (PubChem CID 157263376) has the molecular formula C138H114N12O4Si4+6 and a molecular weight of 2116.85 g/mol. Its IUPAC name is 11-methyl-10-aza-1-azoniahexacyclo[10.9.0.02,10.03,8.04,20.016,21]henicosa-1,3(8),4,6,11,16(21),17,19-octaene;11-methyl-13,13-diphenyl-14-oxa-10-aza-1-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-14,14-diphenyl-13-oxa-10-aza-1-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-17-propan-2-yl-10-aza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15(20),16,18-octaene;11,13,13-trimethyl-14-oxa-10-aza-1-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11,14,14-trimethyl-13-oxa-10-aza-1-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene.

Molecular Properties

• Compound Name: 11-methyl-10-aza-1-azoniahexacyclo[10.9.0.02,10.03,8.04,20.016,21]henicosa-1,3(8),4,6,11,16(21),17,19-octaene;11-methyl-13,13-diphenyl-14-oxa-10-aza-1-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-14,14-diphenyl-13-oxa-10-aza-1-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-17-propan-2-yl-10-aza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15(20),16,18-octaene;11,13,13-trimethyl-14-oxa-10-aza-1-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11,14,14-trimethyl-13-oxa-10-aza-1-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene
• PubChem CID: 157263376
• Molecular Formula: C138H114N12O4Si4+6
• Molecular Weight: 2116.85 g/mol
• Exact Mass: 2114.81
• IUPAC Name: 11-methyl-10-aza-1-azoniahexacyclo[10.9.0.02,10.03,8.04,20.016,21]henicosa-1,3(8),4,6,11,16(21),17,19-octaene;11-methyl-13,13-diphenyl-14-oxa-10-aza-1-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-14,14-diphenyl-13-oxa-10-aza-1-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-17-propan-2-yl-10-aza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15(20),16,18-octaene;11,13,13-trimethyl-14-oxa-10-aza-1-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11,14,14-trimethyl-13-oxa-10-aza-1-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene
• SMILES: Cc1c2[n+]3c4c(cc(C(C)C)cc4c4cccc5c4c3n1C5)CC2.Cc1c2[n+]3c4c(cccc4c4cccc5c4c3n1C5)CCC2.Cc1c2[n+]3c4c(cccc4c4cccc5c4c3n1C5)O[Si]2(C)C.Cc1c2[n+]3c4c(cccc4c4cccc5c4c3n1C5)O[Si]2(c1ccccc1)c1ccccc1.Cc1c2[n+]3c4c(cccc4c4cccc5c4c3n1C5)[Si](C)(C)O2.Cc1c2[n+]3c4c(cccc4c4cccc5c4c3n1C5)[Si](c1ccccc1)(c1ccccc1)O2
• InChI: InChI=1S/2C29H21N2OSi.C22H21N2.C20H17N2.2C19H17N2OSi/c1-19-29-31-27-24(23-15-8-10-20-18-30(19)28(31)26(20)23)16-9-17-25(27)33(32-29,21-11-4-2-5-12-21)22-13-6-3-7-14-22;1-19-29-31-27-24(23-15-8-10-20-18-30(19)28(31)26(20)23)16-9-17-25(27)32-33(29,21-11-4-2-5-12-21)22-13-6-3-7-14-22;1-12(2)16-9-14-7-8-19-13(3)23-11-15-5-4-6-17-18(10-16)21(14)24(19)22(23)20(15)17;1-12-17-10-4-6-13-5-2-9-16-15-8-3-7-14-11-21(12)20(18(14)15)22(17)19(13)16;1-11-19-21-17-14(8-5-9-15(17)23(2,3)22-19)13-7-4-6-12-10-20(11)18(21)16(12)13;1-11-19-21-17-14(8-5-9-15(17)22-23(19,2)3)13-7-4-6-12-10-20(11)18(21)16(12)13/h2*2-17H,18H2,1H3;4-6,9-10,12H,7-8,11H2,1-3H3;2-3,5,7-9H,4,6,10-11H2,1H3;2*4-9H,10H2,1-3H3/q6*+1
• InChIKey: WOFBVDDCGOZDTQ-UHFFFAOYSA-N
• XLogP: 21.26
• TPSA: 91.10 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2116.85
LogP ≤ 5	21.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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 11-methyl-10-aza-1-azoniahexacyclo[10.9.0.02,10.03,8.04,20.016,21]henicosa-1,3(8),4,6,11,16(21),17,19-octaene;11-methyl-13,13-diphenyl-14-oxa-10-aza-1-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-14,14-diphenyl-13-oxa-10-aza-1-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-17-propan-2-yl-10-aza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15(20),16,18-octaene;11,13,13-trimethyl-14-oxa-10-aza-1-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11,14,14-trimethyl-13-oxa-10-aza-1-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene?

The IUPAC name of 11-methyl-10-aza-1-azoniahexacyclo[10.9.0.02,10.03,8.04,20.016,21]henicosa-1,3(8),4,6,11,16(21),17,19-octaene;11-methyl-13,13-diphenyl-14-oxa-10-aza-1-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-14,14-diphenyl-13-oxa-10-aza-1-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-17-propan-2-yl-10-aza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15(20),16,18-octaene;11,13,13-trimethyl-14-oxa-10-aza-1-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11,14,14-trimethyl-13-oxa-10-aza-1-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene (CID 157263376) is 11-methyl-10-aza-1-azoniahexacyclo[10.9.0.02,10.03,8.04,20.016,21]henicosa-1,3(8),4,6,11,16(21),17,19-octaene;11-methyl-13,13-diphenyl-14-oxa-10-aza-1-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-14,14-diphenyl-13-oxa-10-aza-1-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-17-propan-2-yl-10-aza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15(20),16,18-octaene;11,13,13-trimethyl-14-oxa-10-aza-1-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11,14,14-trimethyl-13-oxa-10-aza-1-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene.

What is the SMILES notation for 11-methyl-10-aza-1-azoniahexacyclo[10.9.0.02,10.03,8.04,20.016,21]henicosa-1,3(8),4,6,11,16(21),17,19-octaene;11-methyl-13,13-diphenyl-14-oxa-10-aza-1-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-14,14-diphenyl-13-oxa-10-aza-1-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-17-propan-2-yl-10-aza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15(20),16,18-octaene;11,13,13-trimethyl-14-oxa-10-aza-1-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11,14,14-trimethyl-13-oxa-10-aza-1-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene?

The canonical SMILES for 11-methyl-10-aza-1-azoniahexacyclo[10.9.0.02,10.03,8.04,20.016,21]henicosa-1,3(8),4,6,11,16(21),17,19-octaene;11-methyl-13,13-diphenyl-14-oxa-10-aza-1-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-14,14-diphenyl-13-oxa-10-aza-1-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-17-propan-2-yl-10-aza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15(20),16,18-octaene;11,13,13-trimethyl-14-oxa-10-aza-1-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11,14,14-trimethyl-13-oxa-10-aza-1-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene is Cc1c2[n+]3c4c(cc(C(C)C)cc4c4cccc5c4c3n1C5)CC2.Cc1c2[n+]3c4c(cccc4c4cccc5c4c3n1C5)CCC2.Cc1c2[n+]3c4c(cccc4c4cccc5c4c3n1C5)O[Si]2(C)C.Cc1c2[n+]3c4c(cccc4c4cccc5c4c3n1C5)O[Si]2(c1ccccc1)c1ccccc1.Cc1c2[n+]3c4c(cccc4c4cccc5c4c3n1C5)[Si](C)(C)O2.Cc1c2[n+]3c4c(cccc4c4cccc5c4c3n1C5)[Si](c1ccccc1)(c1ccccc1)O2.

What is the InChIKey of 11-methyl-10-aza-1-azoniahexacyclo[10.9.0.02,10.03,8.04,20.016,21]henicosa-1,3(8),4,6,11,16(21),17,19-octaene;11-methyl-13,13-diphenyl-14-oxa-10-aza-1-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-14,14-diphenyl-13-oxa-10-aza-1-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-17-propan-2-yl-10-aza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15(20),16,18-octaene;11,13,13-trimethyl-14-oxa-10-aza-1-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11,14,14-trimethyl-13-oxa-10-aza-1-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene?

The InChIKey is WOFBVDDCGOZDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H21N2OSi.C22H21N2.C20H17N2.2C19H17N2OSi/c1-19-29-31-27-24(23-15-8-10-20-18-30(19)28(31)26(20)23)16-9-17-25(27)33(32-29,21-11-4-2-5-12-21)22-13-6-3-7-14-22;1-19-29-31-27-24(23-15-8-10-20-18-30(19)28(31)26(20)23)16-9-17-25(27)32-33(29,21-11-4-2-5-12-21)22-13-6-3-7-14-22;1-12(2)16-9-14-7-8-19-13(3)23-11-15-5-4-6-17-18(10-16)21(14)24(19)22(23)20(15)17;1-12-17-10-4-6-13-5-2-9-16-15-8-3-7-14-11-21(12)20(18(14)15)22(17)19(13)16;1-11-19-21-17-14(8-5-9-15(17)23(2,3)22-19)13-7-4-6-12-10-20(11)18(21)16(12)13;1-11-19-21-17-14(8-5-9-15(17)22-23(19,2)3)13-7-4-6-12-10-20(11)18(21)16(12)13/h2*2-17H,18H2,1H3;4-6,9-10,12H,7-8,11H2,1-3H3;2-3,5,7-9H,4,6,10-11H2,1H3;2*4-9H,10H2,1-3H3/q6*+1.

What are the key properties of 11-methyl-10-aza-1-azoniahexacyclo[10.9.0.02,10.03,8.04,20.016,21]henicosa-1,3(8),4,6,11,16(21),17,19-octaene;11-methyl-13,13-diphenyl-14-oxa-10-aza-1-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-14,14-diphenyl-13-oxa-10-aza-1-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-17-propan-2-yl-10-aza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15(20),16,18-octaene;11,13,13-trimethyl-14-oxa-10-aza-1-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11,14,14-trimethyl-13-oxa-10-aza-1-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene?

11-methyl-10-aza-1-azoniahexacyclo[10.9.0.02,10.03,8.04,20.016,21]henicosa-1,3(8),4,6,11,16(21),17,19-octaene;11-methyl-13,13-diphenyl-14-oxa-10-aza-1-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-14,14-diphenyl-13-oxa-10-aza-1-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-17-propan-2-yl-10-aza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15(20),16,18-octaene;11,13,13-trimethyl-14-oxa-10-aza-1-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11,14,14-trimethyl-13-oxa-10-aza-1-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene has a molecular weight of 2116.85 g/mol, XLogP of 21.26, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 11-methyl-10-aza-1-azoniahexacyclo[10.9.0.02,10.03,8.04,20.016,21]henicosa-1,3(8),4,6,11,16(21),17,19-octaene;11-methyl-13,13-diphenyl-14-oxa-10-aza-1-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-14,14-diphenyl-13-oxa-10-aza-1-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-17-propan-2-yl-10-aza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15(20),16,18-octaene;11,13,13-trimethyl-14-oxa-10-aza-1-azonia-13-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11,14,14-trimethyl-13-oxa-10-aza-1-azonia-14-silahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene is sourced from PubChem (CID 157263376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).