11-methyl-5,10-diaza-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-methyl-6,10-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3,5,7,11,15(20),16,18-octaene;11-methyl-10,16-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-10,17-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-10,18-diaza-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-methyl-13-thia-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-methyl-14-thia-10-aza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene

C126H96N19S2+7 — CID 157405611

About 11-methyl-5,10-diaza-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-methyl-6,10-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3,5,7,11,15(20),16,18-octaene;11-methyl-10,16-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-10,17-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-10,18-diaza-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-methyl-13-thia-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-methyl-14-thia-10-aza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene

11-methyl-5,10-diaza-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-methyl-6,10-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3,5,7,11,15(20),16,18-octaene;11-methyl-10,16-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-10,17-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-10,18-diaza-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-methyl-13-thia-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-methyl-14-thia-10-aza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene (PubChem CID 157405611) has the molecular formula C126H96N19S2+7 and a molecular weight of 1940.42 g/mol. Its IUPAC name is 11-methyl-5,10-diaza-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-methyl-6,10-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3,5,7,11,15(20),16,18-octaene;11-methyl-10,16-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-10,17-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-10,18-diaza-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-methyl-13-thia-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-methyl-14-thia-10-aza-1-azoniahexacyclo[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-5,10-diaza-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-methyl-6,10-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3,5,7,11,15(20),16,18-octaene;11-methyl-10,16-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-10,17-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-10,18-diaza-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-methyl-13-thia-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-methyl-14-thia-10-aza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene
• PubChem CID: 157405611
• Molecular Formula: C126H96N19S2+7
• Molecular Weight: 1940.42 g/mol
• Exact Mass: 1938.75
• IUPAC Name: 11-methyl-5,10-diaza-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-methyl-6,10-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3,5,7,11,15(20),16,18-octaene;11-methyl-10,16-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-10,17-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-10,18-diaza-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-methyl-13-thia-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-methyl-14-thia-10-aza-1-azoniahexacyclo[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(cccc4c4cccc5c4c3n1C5)CS2.Cc1c2[n+]3c4c(cccc4c4cccc5c4c3n1C5)SC2.Cc1c2[n+]3c4c(cccc4c4cncc5c4c3n1C5)CC2.Cc1c2[n+]3c4c(cccc4c4nccc5c4c3n1C5)CC2.Cc1c2[n+]3c4c(ccnc4c4cccc5c4c3n1C5)CC2.Cc1c2[n+]3c4c(cncc4c4cccc5c4c3n1C5)CC2.Cc1c2[n+]3c4c(nccc4c4cccc5c4c3n1C5)CC2
• InChI: InChI=1S/5C18H14N3.2C18H13N2S/c1-10-15-6-5-11-7-19-8-14-13-4-2-3-12-9-20(10)18(16(12)13)21(15)17(11)14;1-10-15-6-5-11-3-2-4-13-14-8-19-7-12-9-20(10)18(16(12)14)21(15)17(11)13;1-10-14-6-5-11-7-8-19-16-13-4-2-3-12-9-20(10)18(15(12)13)21(14)17(11)16;1-10-15-6-5-14-17-13(7-8-19-14)12-4-2-3-11-9-20(10)18(16(11)12)21(15)17;1-10-14-6-5-11-3-2-4-13-16-15-12(7-8-19-16)9-20(10)18(15)21(14)17(11)13;1-10-18-20-16-12(9-21-18)5-3-7-14(16)13-6-2-4-11-8-19(10)17(20)15(11)13;1-10-14-9-21-15-7-3-6-13-12-5-2-4-11-8-19(10)18(16(11)12)20(14)17(13)15/h5*2-4,7-8H,5-6,9H2,1H3;2*2-7H,8-9H2,1H3/q7*+1
• InChIKey: AAYVCSYZAPXOHG-UHFFFAOYSA-N
• XLogP: 21.10
• TPSA: 127.66 Ų
• H-Bond Acceptors: 14
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1940.42
LogP ≤ 5	21.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'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-5,10-diaza-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-methyl-6,10-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3,5,7,11,15(20),16,18-octaene;11-methyl-10,16-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-10,17-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-10,18-diaza-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-methyl-13-thia-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-methyl-14-thia-10-aza-1-azoniahexacyclo[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-5,10-diaza-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-methyl-6,10-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3,5,7,11,15(20),16,18-octaene;11-methyl-10,16-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-10,17-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-10,18-diaza-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-methyl-13-thia-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-methyl-14-thia-10-aza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene (CID 157405611) is 11-methyl-5,10-diaza-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-methyl-6,10-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3,5,7,11,15(20),16,18-octaene;11-methyl-10,16-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-10,17-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-10,18-diaza-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-methyl-13-thia-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-methyl-14-thia-10-aza-1-azoniahexacyclo[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-5,10-diaza-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-methyl-6,10-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3,5,7,11,15(20),16,18-octaene;11-methyl-10,16-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-10,17-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-10,18-diaza-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-methyl-13-thia-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-methyl-14-thia-10-aza-1-azoniahexacyclo[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-5,10-diaza-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-methyl-6,10-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3,5,7,11,15(20),16,18-octaene;11-methyl-10,16-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-10,17-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-10,18-diaza-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-methyl-13-thia-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-methyl-14-thia-10-aza-1-azoniahexacyclo[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(cccc4c4cccc5c4c3n1C5)CS2.Cc1c2[n+]3c4c(cccc4c4cccc5c4c3n1C5)SC2.Cc1c2[n+]3c4c(cccc4c4cncc5c4c3n1C5)CC2.Cc1c2[n+]3c4c(cccc4c4nccc5c4c3n1C5)CC2.Cc1c2[n+]3c4c(ccnc4c4cccc5c4c3n1C5)CC2.Cc1c2[n+]3c4c(cncc4c4cccc5c4c3n1C5)CC2.Cc1c2[n+]3c4c(nccc4c4cccc5c4c3n1C5)CC2.

What is the InChIKey of 11-methyl-5,10-diaza-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-methyl-6,10-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3,5,7,11,15(20),16,18-octaene;11-methyl-10,16-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-10,17-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-10,18-diaza-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-methyl-13-thia-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-methyl-14-thia-10-aza-1-azoniahexacyclo[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 AAYVCSYZAPXOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/5C18H14N3.2C18H13N2S/c1-10-15-6-5-11-7-19-8-14-13-4-2-3-12-9-20(10)18(16(12)13)21(15)17(11)14;1-10-15-6-5-11-3-2-4-13-14-8-19-7-12-9-20(10)18(16(12)14)21(15)17(11)13;1-10-14-6-5-11-7-8-19-16-13-4-2-3-12-9-20(10)18(15(12)13)21(14)17(11)16;1-10-15-6-5-14-17-13(7-8-19-14)12-4-2-3-11-9-20(10)18(16(11)12)21(15)17;1-10-14-6-5-11-3-2-4-13-16-15-12(7-8-19-16)9-20(10)18(15)21(14)17(11)13;1-10-18-20-16-12(9-21-18)5-3-7-14(16)13-6-2-4-11-8-19(10)17(20)15(11)13;1-10-14-9-21-15-7-3-6-13-12-5-2-4-11-8-19(10)18(16(11)12)20(14)17(13)15/h5*2-4,7-8H,5-6,9H2,1H3;2*2-7H,8-9H2,1H3/q7*+1.

What are the key properties of 11-methyl-5,10-diaza-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-methyl-6,10-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3,5,7,11,15(20),16,18-octaene;11-methyl-10,16-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-10,17-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-10,18-diaza-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-methyl-13-thia-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-methyl-14-thia-10-aza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene?

11-methyl-5,10-diaza-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-methyl-6,10-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3,5,7,11,15(20),16,18-octaene;11-methyl-10,16-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-10,17-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-10,18-diaza-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-methyl-13-thia-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-methyl-14-thia-10-aza-1-azoniahexacyclo[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 1940.42 g/mol, XLogP of 21.10, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 11-methyl-5,10-diaza-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-methyl-6,10-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3,5,7,11,15(20),16,18-octaene;11-methyl-10,16-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-10,17-diaza-1-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-1,3(8),4,6,11,15,17,19-octaene;11-methyl-10,18-diaza-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-methyl-13-thia-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-methyl-14-thia-10-aza-1-azoniahexacyclo[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 157405611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).