2,7-dimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine;10-methyl-11-(2-methylphenyl)-3,6-diaza-10-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15,17,19-nonaene;2,5,7-trimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine;2,6,7-trimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine

C123H96N12O3+4 — CID 159898699

About 2,7-dimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine;10-methyl-11-(2-methylphenyl)-3,6-diaza-10-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15,17,19-nonaene;2,5,7-trimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine;2,6,7-trimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine

2,7-dimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine;10-methyl-11-(2-methylphenyl)-3,6-diaza-10-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15,17,19-nonaene;2,5,7-trimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine;2,6,7-trimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 159898699) has the molecular formula C123H96N12O3+4 and a molecular weight of 1790.20 g/mol. Its IUPAC name is 2,7-dimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine;10-methyl-11-(2-methylphenyl)-3,6-diaza-10-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15,17,19-nonaene;2,5,7-trimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine;2,6,7-trimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 2,7-dimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine;10-methyl-11-(2-methylphenyl)-3,6-diaza-10-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15,17,19-nonaene;2,5,7-trimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine;2,6,7-trimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 159898699
• Molecular Formula: C123H96N12O3+4
• Molecular Weight: 1790.20 g/mol
• Exact Mass: 1788.77
• IUPAC Name: 2,7-dimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine;10-methyl-11-(2-methylphenyl)-3,6-diaza-10-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15,17,19-nonaene;2,5,7-trimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine;2,6,7-trimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine
• SMILES: Cc1ccc2c(n1)oc1c(-c3cnc4c([n+]3C)C3c5ccccc5C4c4ccccc43)c(C)c(C)cc12.Cc1ccc2c(n1)oc1c(-c3cnc4c([n+]3C)C3c5ccccc5C4c4ccccc43)c(C)cc(C)c12.Cc1ccc2c(n1)oc1c(-c3cnc4c([n+]3C)C3c5ccccc5C4c4ccccc43)c(C)ccc12.Cc1ccccc1-c1ccc2c([n+]1C)C1c3ccccc3C2c2nccnc21
• InChI: InChI=1S/2C33H26N3O.C32H24N3O.C25H20N3/c1-17-15-18(2)27(32-26(17)24-14-13-19(3)35-33(24)37-32)25-16-34-30-28-20-9-5-7-11-22(20)29(31(30)36(25)4)23-12-8-6-10-21(23)28;1-17-15-25-24-14-13-18(2)35-33(24)37-32(25)27(19(17)3)26-16-34-30-28-20-9-5-7-11-22(20)29(31(30)36(26)4)23-12-8-6-10-21(23)28;1-17-12-14-23-24-15-13-18(2)34-32(24)36-31(23)26(17)25-16-33-29-27-19-8-4-6-10-21(19)28(30(29)35(25)3)22-11-7-5-9-20(22)27;1-15-7-3-4-8-16(15)20-12-11-19-21-17-9-5-6-10-18(17)22(25(19)28(20)2)24-23(21)26-13-14-27-24/h2*5-16,28-29H,1-4H3;4-16,27-28H,1-3H3;3-14,21-22H,1-2H3/q4*+1
• InChIKey: AXZGJJHPVWDJRC-UHFFFAOYSA-N
• XLogP: 24.30
• TPSA: 158.06 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1790.20
LogP ≤ 5	24.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine;10-methyl-11-(2-methylphenyl)-3,6-diaza-10-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15,17,19-nonaene;2,5,7-trimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine;2,6,7-trimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 2,7-dimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine;10-methyl-11-(2-methylphenyl)-3,6-diaza-10-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15,17,19-nonaene;2,5,7-trimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine;2,6,7-trimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine (CID 159898699) is 2,7-dimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine;10-methyl-11-(2-methylphenyl)-3,6-diaza-10-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15,17,19-nonaene;2,5,7-trimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine;2,6,7-trimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 2,7-dimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine;10-methyl-11-(2-methylphenyl)-3,6-diaza-10-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15,17,19-nonaene;2,5,7-trimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine;2,6,7-trimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 2,7-dimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine;10-methyl-11-(2-methylphenyl)-3,6-diaza-10-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15,17,19-nonaene;2,5,7-trimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine;2,6,7-trimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3cnc4c([n+]3C)C3c5ccccc5C4c4ccccc43)c(C)c(C)cc12.Cc1ccc2c(n1)oc1c(-c3cnc4c([n+]3C)C3c5ccccc5C4c4ccccc43)c(C)cc(C)c12.Cc1ccc2c(n1)oc1c(-c3cnc4c([n+]3C)C3c5ccccc5C4c4ccccc43)c(C)ccc12.Cc1ccccc1-c1ccc2c([n+]1C)C1c3ccccc3C2c2nccnc21.

What is the InChIKey of 2,7-dimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine;10-methyl-11-(2-methylphenyl)-3,6-diaza-10-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15,17,19-nonaene;2,5,7-trimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine;2,6,7-trimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine?

The InChIKey is AXZGJJHPVWDJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H26N3O.C32H24N3O.C25H20N3/c1-17-15-18(2)27(32-26(17)24-14-13-19(3)35-33(24)37-32)25-16-34-30-28-20-9-5-7-11-22(20)29(31(30)36(25)4)23-12-8-6-10-21(23)28;1-17-15-25-24-14-13-18(2)35-33(24)37-32(25)27(19(17)3)26-16-34-30-28-20-9-5-7-11-22(20)29(31(30)36(26)4)23-12-8-6-10-21(23)28;1-17-12-14-23-24-15-13-18(2)34-32(24)36-31(23)26(17)25-16-33-29-27-19-8-4-6-10-21(19)28(30(29)35(25)3)22-11-7-5-9-20(22)27;1-15-7-3-4-8-16(15)20-12-11-19-21-17-9-5-6-10-18(17)22(25(19)28(20)2)24-23(21)26-13-14-27-24/h2*5-16,28-29H,1-4H3;4-16,27-28H,1-3H3;3-14,21-22H,1-2H3/q4*+1.

What are the key properties of 2,7-dimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine;10-methyl-11-(2-methylphenyl)-3,6-diaza-10-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15,17,19-nonaene;2,5,7-trimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine;2,6,7-trimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine?

2,7-dimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine;10-methyl-11-(2-methylphenyl)-3,6-diaza-10-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15,17,19-nonaene;2,5,7-trimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine;2,6,7-trimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 1790.20 g/mol, XLogP of 24.30, 4 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-dimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine;10-methyl-11-(2-methylphenyl)-3,6-diaza-10-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15,17,19-nonaene;2,5,7-trimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine;2,6,7-trimethyl-8-(3-methyl-6-aza-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 159898699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).