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

C120H93N10+5 — CID 159754011

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

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;13,14-dimethyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;13,14-diphenyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;14,14-diphenyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;13,13,14,14-tetramethyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene (PubChem CID 159754011) has the molecular formula C120H93N10+5 and a molecular weight of 1675.13 g/mol. Its IUPAC name is 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;13,14-dimethyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;13,14-diphenyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;14,14-diphenyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;13,13,14,14-tetramethyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene.

Molecular Properties

• Compound Name: 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;13,14-dimethyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;13,14-diphenyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;14,14-diphenyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;13,13,14,14-tetramethyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene
• PubChem CID: 159754011
• Molecular Formula: C120H93N10+5
• Molecular Weight: 1675.13 g/mol
• Exact Mass: 1673.76
• IUPAC Name: 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;13,14-dimethyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;13,14-diphenyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;14,14-diphenyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;13,13,14,14-tetramethyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene
• SMILES: CC1(C)c2cccc3c4cccc5c4c4n(c(c[n+]4C5)C1(C)C)c23.CC1c2cccc3c4cccc5c4c4n(c(c[n+]4C5)C1C)c23.c1cc2c3c(c1)c1cccc4c1n1c(c[n+](c31)C2)CC4.c1ccc(C2(c3ccccc3)Cc3c[n+]4c5c6c(cccc6c6cccc2c6n35)C4)cc1.c1ccc(C2c3cccc4c5cccc6c5c5n(c(c[n+]5C6)C2c2ccccc2)c34)cc1
• InChI: InChI=1S/2C30H21N2.C22H21N2.C20H17N2.C18H13N2/c1-3-10-21(11-4-1)30(22-12-5-2-6-13-22)17-23-19-31-18-20-9-7-14-24-25-15-8-16-26(30)28(25)32(23)29(31)27(20)24;1-3-9-19(10-4-1)26-24-16-8-15-23-22-14-7-13-21-17-31-18-25(28(26)20-11-5-2-6-12-20)32(29(23)24)30(31)27(21)22;1-21(2)16-10-6-9-15-14-8-5-7-13-11-23-12-17(22(21,3)4)24(19(15)16)20(23)18(13)14;1-11-12(2)17-10-21-9-13-5-3-7-15-16-8-4-6-14(11)19(16)22(17)20(21)18(13)15;1-3-11-7-8-13-10-19-9-12-4-2-5-14-15(6-1)17(11)20(13)18(19)16(12)14/h1-16,19H,17-18H2;1-16,18,26,28H,17H2;5-10,12H,11H2,1-4H3;3-8,10-12H,9H2,1-2H3;1-6,10H,7-9H2/q5*+1
• InChIKey: DWOLEVYUERKIGK-UHFFFAOYSA-N
• XLogP: 23.53
• TPSA: 41.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1675.13
LogP ≤ 5	23.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 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;13,14-dimethyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;13,14-diphenyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;14,14-diphenyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;13,13,14,14-tetramethyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene?

The IUPAC name of 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;13,14-dimethyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;13,14-diphenyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;14,14-diphenyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;13,13,14,14-tetramethyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene (CID 159754011) is 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;13,14-dimethyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;13,14-diphenyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;14,14-diphenyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;13,13,14,14-tetramethyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene.

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

The canonical SMILES for 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;13,14-dimethyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;13,14-diphenyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;14,14-diphenyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;13,13,14,14-tetramethyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene is CC1(C)c2cccc3c4cccc5c4c4n(c(c[n+]4C5)C1(C)C)c23.CC1c2cccc3c4cccc5c4c4n(c(c[n+]4C5)C1C)c23.c1cc2c3c(c1)c1cccc4c1n1c(c[n+](c31)C2)CC4.c1ccc(C2(c3ccccc3)Cc3c[n+]4c5c6c(cccc6c6cccc2c6n35)C4)cc1.c1ccc(C2c3cccc4c5cccc6c5c5n(c(c[n+]5C6)C2c2ccccc2)c34)cc1.

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

The InChIKey is DWOLEVYUERKIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H21N2.C22H21N2.C20H17N2.C18H13N2/c1-3-10-21(11-4-1)30(22-12-5-2-6-13-22)17-23-19-31-18-20-9-7-14-24-25-15-8-16-26(30)28(25)32(23)29(31)27(20)24;1-3-9-19(10-4-1)26-24-16-8-15-23-22-14-7-13-21-17-31-18-25(28(26)20-11-5-2-6-12-20)32(29(23)24)30(31)27(21)22;1-21(2)16-10-6-9-15-14-8-5-7-13-11-23-12-17(22(21,3)4)24(19(15)16)20(23)18(13)14;1-11-12(2)17-10-21-9-13-5-3-7-15-16-8-4-6-14(11)19(16)22(17)20(21)18(13)15;1-3-11-7-8-13-10-19-9-12-4-2-5-14-15(6-1)17(11)20(13)18(19)16(12)14/h1-16,19H,17-18H2;1-16,18,26,28H,17H2;5-10,12H,11H2,1-4H3;3-8,10-12H,9H2,1-2H3;1-6,10H,7-9H2/q5*+1.

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

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;13,14-dimethyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;13,14-diphenyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;14,14-diphenyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;13,13,14,14-tetramethyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene has a molecular weight of 1675.13 g/mol, XLogP of 23.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 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;13,14-dimethyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;13,14-diphenyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;14,14-diphenyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;13,13,14,14-tetramethyl-1-aza-10-azoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene is sourced from PubChem (CID 159754011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).