1,11,14,16,17-pentamethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene;1,11,14,17-tetramethyl-14-azoniapentacyclo[10.8.1.02,7.08,21.013,18]henicosa-2,4,6,8(21),9,11,13,15,17-nonaene;1,11,14,16-tetramethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaene;1,11,14,17-tetramethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene;11,14,19,19-tetramethyl-1-phenyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaene

C123H118N5+5 — CID 161378947

About 1,11,14,16,17-pentamethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene;1,11,14,17-tetramethyl-14-azoniapentacyclo[10.8.1.02,7.08,21.013,18]henicosa-2,4,6,8(21),9,11,13,15,17-nonaene;1,11,14,16-tetramethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaene;1,11,14,17-tetramethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene;11,14,19,19-tetramethyl-1-phenyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaene

1,11,14,16,17-pentamethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene;1,11,14,17-tetramethyl-14-azoniapentacyclo[10.8.1.02,7.08,21.013,18]henicosa-2,4,6,8(21),9,11,13,15,17-nonaene;1,11,14,16-tetramethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaene;1,11,14,17-tetramethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene;11,14,19,19-tetramethyl-1-phenyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaene (PubChem CID 161378947) has the molecular formula C123H118N5+5 and a molecular weight of 1666.33 g/mol. Its IUPAC name is 1,11,14,16,17-pentamethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene;1,11,14,17-tetramethyl-14-azoniapentacyclo[10.8.1.02,7.08,21.013,18]henicosa-2,4,6,8(21),9,11,13,15,17-nonaene;1,11,14,16-tetramethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaene;1,11,14,17-tetramethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene;11,14,19,19-tetramethyl-1-phenyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaene.

Molecular Properties

• Compound Name: 1,11,14,16,17-pentamethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene;1,11,14,17-tetramethyl-14-azoniapentacyclo[10.8.1.02,7.08,21.013,18]henicosa-2,4,6,8(21),9,11,13,15,17-nonaene;1,11,14,16-tetramethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaene;1,11,14,17-tetramethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene;11,14,19,19-tetramethyl-1-phenyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaene
• PubChem CID: 161378947
• Molecular Formula: C123H118N5+5
• Molecular Weight: 1666.33 g/mol
• Exact Mass: 1664.94
• IUPAC Name: 1,11,14,16,17-pentamethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene;1,11,14,17-tetramethyl-14-azoniapentacyclo[10.8.1.02,7.08,21.013,18]henicosa-2,4,6,8(21),9,11,13,15,17-nonaene;1,11,14,16-tetramethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaene;1,11,14,17-tetramethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene;11,14,19,19-tetramethyl-1-phenyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaene
• SMILES: Cc1c[n+](C)c2c(c1C)CC1(C)c3ccccc3-c3ccc(C)c-2c31.Cc1cc2c([n+](C)c1)-c1c(C)ccc3c1C(C)(C2)c1ccccc1-3.Cc1cc[n+](C)c2c1CC1(C)c3ccccc3-c3ccc(C)c-2c31.Cc1cc[n+](C)c2c1CCC1(C)c3ccccc3-c3ccc(C)c-2c31.Cc1ccc2c3c1-c1c(ccc[n+]1C)C(C)(C)C3(c1ccccc1)c1ccccc1-2
• InChI: InChI=1S/C29H26N.2C24H24N.2C23H22N/c1-19-16-17-22-21-13-8-9-14-23(21)29(20-11-6-5-7-12-20)26(22)25(19)27-24(28(29,2)3)15-10-18-30(27)4;1-14-10-11-18-17-8-6-7-9-20(17)24(4)12-19-16(3)15(2)13-25(5)23(19)21(14)22(18)24;1-15-12-14-25(4)23-17(15)11-13-24(3)20-8-6-5-7-18(20)19-10-9-16(2)21(23)22(19)24;1-14-11-16-12-23(3)19-8-6-5-7-17(19)18-10-9-15(2)20(21(18)23)22(16)24(4)13-14;1-14-11-12-24(4)22-18(14)13-23(3)19-8-6-5-7-16(19)17-10-9-15(2)20(22)21(17)23/h5-18H,1-4H3;6-11,13H,12H2,1-5H3;5-10,12,14H,11,13H2,1-4H3;5-11,13H,12H2,1-4H3;5-12H,13H2,1-4H3/q5*+1
• InChIKey: HNJHBVNPVQEUAL-UHFFFAOYSA-N
• XLogP: 25.34
• TPSA: 19.40 Ų
• Rotatable Bonds: 1
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1666.33
LogP ≤ 5	25.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,11,14,16,17-pentamethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene;1,11,14,17-tetramethyl-14-azoniapentacyclo[10.8.1.02,7.08,21.013,18]henicosa-2,4,6,8(21),9,11,13,15,17-nonaene;1,11,14,16-tetramethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaene;1,11,14,17-tetramethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene;11,14,19,19-tetramethyl-1-phenyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaene?

The IUPAC name of 1,11,14,16,17-pentamethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene;1,11,14,17-tetramethyl-14-azoniapentacyclo[10.8.1.02,7.08,21.013,18]henicosa-2,4,6,8(21),9,11,13,15,17-nonaene;1,11,14,16-tetramethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaene;1,11,14,17-tetramethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene;11,14,19,19-tetramethyl-1-phenyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaene (CID 161378947) is 1,11,14,16,17-pentamethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene;1,11,14,17-tetramethyl-14-azoniapentacyclo[10.8.1.02,7.08,21.013,18]henicosa-2,4,6,8(21),9,11,13,15,17-nonaene;1,11,14,16-tetramethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaene;1,11,14,17-tetramethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene;11,14,19,19-tetramethyl-1-phenyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaene.

What is the SMILES notation for 1,11,14,16,17-pentamethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene;1,11,14,17-tetramethyl-14-azoniapentacyclo[10.8.1.02,7.08,21.013,18]henicosa-2,4,6,8(21),9,11,13,15,17-nonaene;1,11,14,16-tetramethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaene;1,11,14,17-tetramethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene;11,14,19,19-tetramethyl-1-phenyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaene?

The canonical SMILES for 1,11,14,16,17-pentamethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene;1,11,14,17-tetramethyl-14-azoniapentacyclo[10.8.1.02,7.08,21.013,18]henicosa-2,4,6,8(21),9,11,13,15,17-nonaene;1,11,14,16-tetramethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaene;1,11,14,17-tetramethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene;11,14,19,19-tetramethyl-1-phenyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaene is Cc1c[n+](C)c2c(c1C)CC1(C)c3ccccc3-c3ccc(C)c-2c31.Cc1cc2c([n+](C)c1)-c1c(C)ccc3c1C(C)(C2)c1ccccc1-3.Cc1cc[n+](C)c2c1CC1(C)c3ccccc3-c3ccc(C)c-2c31.Cc1cc[n+](C)c2c1CCC1(C)c3ccccc3-c3ccc(C)c-2c31.Cc1ccc2c3c1-c1c(ccc[n+]1C)C(C)(C)C3(c1ccccc1)c1ccccc1-2.

What is the InChIKey of 1,11,14,16,17-pentamethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene;1,11,14,17-tetramethyl-14-azoniapentacyclo[10.8.1.02,7.08,21.013,18]henicosa-2,4,6,8(21),9,11,13,15,17-nonaene;1,11,14,16-tetramethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaene;1,11,14,17-tetramethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene;11,14,19,19-tetramethyl-1-phenyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaene?

The InChIKey is HNJHBVNPVQEUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N.2C24H24N.2C23H22N/c1-19-16-17-22-21-13-8-9-14-23(21)29(20-11-6-5-7-12-20)26(22)25(19)27-24(28(29,2)3)15-10-18-30(27)4;1-14-10-11-18-17-8-6-7-9-20(17)24(4)12-19-16(3)15(2)13-25(5)23(19)21(14)22(18)24;1-15-12-14-25(4)23-17(15)11-13-24(3)20-8-6-5-7-18(20)19-10-9-16(2)21(23)22(19)24;1-14-11-16-12-23(3)19-8-6-5-7-17(19)18-10-9-15(2)20(21(18)23)22(16)24(4)13-14;1-14-11-12-24(4)22-18(14)13-23(3)19-8-6-5-7-16(19)17-10-9-15(2)20(22)21(17)23/h5-18H,1-4H3;6-11,13H,12H2,1-5H3;5-10,12,14H,11,13H2,1-4H3;5-11,13H,12H2,1-4H3;5-12H,13H2,1-4H3/q5*+1.

What are the key properties of 1,11,14,16,17-pentamethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene;1,11,14,17-tetramethyl-14-azoniapentacyclo[10.8.1.02,7.08,21.013,18]henicosa-2,4,6,8(21),9,11,13,15,17-nonaene;1,11,14,16-tetramethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaene;1,11,14,17-tetramethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene;11,14,19,19-tetramethyl-1-phenyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaene?

1,11,14,16,17-pentamethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene;1,11,14,17-tetramethyl-14-azoniapentacyclo[10.8.1.02,7.08,21.013,18]henicosa-2,4,6,8(21),9,11,13,15,17-nonaene;1,11,14,16-tetramethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaene;1,11,14,17-tetramethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene;11,14,19,19-tetramethyl-1-phenyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaene has a molecular weight of 1666.33 g/mol, XLogP of 25.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,11,14,16,17-pentamethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene;1,11,14,17-tetramethyl-14-azoniapentacyclo[10.8.1.02,7.08,21.013,18]henicosa-2,4,6,8(21),9,11,13,15,17-nonaene;1,11,14,16-tetramethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaene;1,11,14,17-tetramethyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene;11,14,19,19-tetramethyl-1-phenyl-14-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaene is sourced from PubChem (CID 161378947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).