3-[2,6-bis(2-methylpropyl)phenyl]-9-methoxy-5,8-dimethyl-2,11-diaza-5-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7,9,11,13,15-octaene;3-[2,6-bis(2-methylpropyl)phenyl]-11-methoxy-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;9-(1,9-dimethylcarbazol-2-yl)-1-methylpyrido[2,3-b]indol-1-ium;6,7-dimethyl-5-(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole;13-methoxy-9,12-dimethyl-2,17,24-triaza-9-azoniahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3,5,7,9,11(16),12,14,18,20,22-undecaene

C138H136N15O3+5 — CID 157052364

About 3-[2,6-bis(2-methylpropyl)phenyl]-9-methoxy-5,8-dimethyl-2,11-diaza-5-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7,9,11,13,15-octaene;3-[2,6-bis(2-methylpropyl)phenyl]-11-methoxy-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;9-(1,9-dimethylcarbazol-2-yl)-1-methylpyrido[2,3-b]indol-1-ium;6,7-dimethyl-5-(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole;13-methoxy-9,12-dimethyl-2,17,24-triaza-9-azoniahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3,5,7,9,11(16),12,14,18,20,22-undecaene

3-[2,6-bis(2-methylpropyl)phenyl]-9-methoxy-5,8-dimethyl-2,11-diaza-5-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7,9,11,13,15-octaene;3-[2,6-bis(2-methylpropyl)phenyl]-11-methoxy-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;9-(1,9-dimethylcarbazol-2-yl)-1-methylpyrido[2,3-b]indol-1-ium;6,7-dimethyl-5-(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole;13-methoxy-9,12-dimethyl-2,17,24-triaza-9-azoniahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3,5,7,9,11(16),12,14,18,20,22-undecaene (PubChem CID 157052364) has the molecular formula C138H136N15O3+5 and a molecular weight of 2052.71 g/mol. Its IUPAC name is 3-[2,6-bis(2-methylpropyl)phenyl]-9-methoxy-5,8-dimethyl-2,11-diaza-5-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7,9,11,13,15-octaene;3-[2,6-bis(2-methylpropyl)phenyl]-11-methoxy-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;9-(1,9-dimethylcarbazol-2-yl)-1-methylpyrido[2,3-b]indol-1-ium;6,7-dimethyl-5-(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole;13-methoxy-9,12-dimethyl-2,17,24-triaza-9-azoniahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3,5,7,9,11(16),12,14,18,20,22-undecaene.

Molecular Properties

• Compound Name: 3-[2,6-bis(2-methylpropyl)phenyl]-9-methoxy-5,8-dimethyl-2,11-diaza-5-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7,9,11,13,15-octaene;3-[2,6-bis(2-methylpropyl)phenyl]-11-methoxy-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;9-(1,9-dimethylcarbazol-2-yl)-1-methylpyrido[2,3-b]indol-1-ium;6,7-dimethyl-5-(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole;13-methoxy-9,12-dimethyl-2,17,24-triaza-9-azoniahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3,5,7,9,11(16),12,14,18,20,22-undecaene
• PubChem CID: 157052364
• Molecular Formula: C138H136N15O3+5
• Molecular Weight: 2052.71 g/mol
• Exact Mass: 2051.09
• IUPAC Name: 3-[2,6-bis(2-methylpropyl)phenyl]-9-methoxy-5,8-dimethyl-2,11-diaza-5-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7,9,11,13,15-octaene;3-[2,6-bis(2-methylpropyl)phenyl]-11-methoxy-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;9-(1,9-dimethylcarbazol-2-yl)-1-methylpyrido[2,3-b]indol-1-ium;6,7-dimethyl-5-(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole;13-methoxy-9,12-dimethyl-2,17,24-triaza-9-azoniahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3,5,7,9,11(16),12,14,18,20,22-undecaene
• SMILES: COc1ccc2c(c1C)c1n(c3ccccc3[n+]1C)c1nc3ccccc3n21.COc1ccc2c3ccccc3n3c(-c4c(CC(C)C)cccc4CC(C)C)c[n+](C)c3c2c1C.COc1cnc2c3ccccc3n3c(-c4c(CC(C)C)cccc4CC(C)C)c[n+](C)c3c2c1C.Cc1c(-n2c3ccccc3c3ccc[n+](C)c32)ccc2c3ccccc3n(C)c12.Cc1c2c(cc3c4ccccc4n(-c4cccc[n+]4C)c13)c1ccccc1n2C
• InChI: InChI=1S/C32H37N2O.C31H36N3O.2C26H22N3.C23H19N4O/c1-20(2)17-23-11-10-12-24(18-21(3)4)31(23)28-19-33(6)32-30-22(5)29(35-7)16-15-26(30)25-13-8-9-14-27(25)34(28)32;1-19(2)15-22-11-10-12-23(16-20(3)4)29(22)26-18-33(6)31-28-21(5)27(35-7)17-32-30(28)24-13-8-9-14-25(24)34(26)31;1-17-25-20(18-10-4-6-12-22(18)28(25)3)16-21-19-11-5-7-13-23(19)29(26(17)21)24-14-8-9-15-27(24)2;1-17-22(15-14-20-18-9-4-6-12-23(18)28(3)25(17)20)29-24-13-7-5-10-19(24)21-11-8-16-27(2)26(21)29;1-14-20(28-3)13-12-19-21(14)22-25(2)17-10-6-7-11-18(17)27(22)23-24-15-8-4-5-9-16(15)26(19)23/h8-16,19-21H,17-18H2,1-7H3;8-14,17-20H,15-16H2,1-7H3;2*4-16H,1-3H3;4-13H,1-3H3/q5*+1
• InChIKey: VLZRYPXAJGTVMC-UHFFFAOYSA-N
• XLogP: 29.61
• TPSA: 110.23 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2052.71
LogP ≤ 5	29.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

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 3-[2,6-bis(2-methylpropyl)phenyl]-9-methoxy-5,8-dimethyl-2,11-diaza-5-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7,9,11,13,15-octaene;3-[2,6-bis(2-methylpropyl)phenyl]-11-methoxy-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;9-(1,9-dimethylcarbazol-2-yl)-1-methylpyrido[2,3-b]indol-1-ium;6,7-dimethyl-5-(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole;13-methoxy-9,12-dimethyl-2,17,24-triaza-9-azoniahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3,5,7,9,11(16),12,14,18,20,22-undecaene?

The IUPAC name of 3-[2,6-bis(2-methylpropyl)phenyl]-9-methoxy-5,8-dimethyl-2,11-diaza-5-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7,9,11,13,15-octaene;3-[2,6-bis(2-methylpropyl)phenyl]-11-methoxy-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;9-(1,9-dimethylcarbazol-2-yl)-1-methylpyrido[2,3-b]indol-1-ium;6,7-dimethyl-5-(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole;13-methoxy-9,12-dimethyl-2,17,24-triaza-9-azoniahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3,5,7,9,11(16),12,14,18,20,22-undecaene (CID 157052364) is 3-[2,6-bis(2-methylpropyl)phenyl]-9-methoxy-5,8-dimethyl-2,11-diaza-5-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7,9,11,13,15-octaene;3-[2,6-bis(2-methylpropyl)phenyl]-11-methoxy-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;9-(1,9-dimethylcarbazol-2-yl)-1-methylpyrido[2,3-b]indol-1-ium;6,7-dimethyl-5-(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole;13-methoxy-9,12-dimethyl-2,17,24-triaza-9-azoniahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3,5,7,9,11(16),12,14,18,20,22-undecaene.

What is the SMILES notation for 3-[2,6-bis(2-methylpropyl)phenyl]-9-methoxy-5,8-dimethyl-2,11-diaza-5-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7,9,11,13,15-octaene;3-[2,6-bis(2-methylpropyl)phenyl]-11-methoxy-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;9-(1,9-dimethylcarbazol-2-yl)-1-methylpyrido[2,3-b]indol-1-ium;6,7-dimethyl-5-(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole;13-methoxy-9,12-dimethyl-2,17,24-triaza-9-azoniahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3,5,7,9,11(16),12,14,18,20,22-undecaene?

The canonical SMILES for 3-[2,6-bis(2-methylpropyl)phenyl]-9-methoxy-5,8-dimethyl-2,11-diaza-5-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7,9,11,13,15-octaene;3-[2,6-bis(2-methylpropyl)phenyl]-11-methoxy-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;9-(1,9-dimethylcarbazol-2-yl)-1-methylpyrido[2,3-b]indol-1-ium;6,7-dimethyl-5-(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole;13-methoxy-9,12-dimethyl-2,17,24-triaza-9-azoniahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3,5,7,9,11(16),12,14,18,20,22-undecaene is COc1ccc2c(c1C)c1n(c3ccccc3[n+]1C)c1nc3ccccc3n21.COc1ccc2c3ccccc3n3c(-c4c(CC(C)C)cccc4CC(C)C)c[n+](C)c3c2c1C.COc1cnc2c3ccccc3n3c(-c4c(CC(C)C)cccc4CC(C)C)c[n+](C)c3c2c1C.Cc1c(-n2c3ccccc3c3ccc[n+](C)c32)ccc2c3ccccc3n(C)c12.Cc1c2c(cc3c4ccccc4n(-c4cccc[n+]4C)c13)c1ccccc1n2C.

What is the InChIKey of 3-[2,6-bis(2-methylpropyl)phenyl]-9-methoxy-5,8-dimethyl-2,11-diaza-5-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7,9,11,13,15-octaene;3-[2,6-bis(2-methylpropyl)phenyl]-11-methoxy-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;9-(1,9-dimethylcarbazol-2-yl)-1-methylpyrido[2,3-b]indol-1-ium;6,7-dimethyl-5-(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole;13-methoxy-9,12-dimethyl-2,17,24-triaza-9-azoniahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3,5,7,9,11(16),12,14,18,20,22-undecaene?

The InChIKey is VLZRYPXAJGTVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N2O.C31H36N3O.2C26H22N3.C23H19N4O/c1-20(2)17-23-11-10-12-24(18-21(3)4)31(23)28-19-33(6)32-30-22(5)29(35-7)16-15-26(30)25-13-8-9-14-27(25)34(28)32;1-19(2)15-22-11-10-12-23(16-20(3)4)29(22)26-18-33(6)31-28-21(5)27(35-7)17-32-30(28)24-13-8-9-14-25(24)34(26)31;1-17-25-20(18-10-4-6-12-22(18)28(25)3)16-21-19-11-5-7-13-23(19)29(26(17)21)24-14-8-9-15-27(24)2;1-17-22(15-14-20-18-9-4-6-12-23(18)28(3)25(17)20)29-24-13-7-5-10-19(24)21-11-8-16-27(2)26(21)29;1-14-20(28-3)13-12-19-21(14)22-25(2)17-10-6-7-11-18(17)27(22)23-24-15-8-4-5-9-16(15)26(19)23/h8-16,19-21H,17-18H2,1-7H3;8-14,17-20H,15-16H2,1-7H3;2*4-16H,1-3H3;4-13H,1-3H3/q5*+1.

What are the key properties of 3-[2,6-bis(2-methylpropyl)phenyl]-9-methoxy-5,8-dimethyl-2,11-diaza-5-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7,9,11,13,15-octaene;3-[2,6-bis(2-methylpropyl)phenyl]-11-methoxy-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;9-(1,9-dimethylcarbazol-2-yl)-1-methylpyrido[2,3-b]indol-1-ium;6,7-dimethyl-5-(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole;13-methoxy-9,12-dimethyl-2,17,24-triaza-9-azoniahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3,5,7,9,11(16),12,14,18,20,22-undecaene?

3-[2,6-bis(2-methylpropyl)phenyl]-9-methoxy-5,8-dimethyl-2,11-diaza-5-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7,9,11,13,15-octaene;3-[2,6-bis(2-methylpropyl)phenyl]-11-methoxy-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;9-(1,9-dimethylcarbazol-2-yl)-1-methylpyrido[2,3-b]indol-1-ium;6,7-dimethyl-5-(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole;13-methoxy-9,12-dimethyl-2,17,24-triaza-9-azoniahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3,5,7,9,11(16),12,14,18,20,22-undecaene has a molecular weight of 2052.71 g/mol, XLogP of 29.61, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2,6-bis(2-methylpropyl)phenyl]-9-methoxy-5,8-dimethyl-2,11-diaza-5-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7,9,11,13,15-octaene;3-[2,6-bis(2-methylpropyl)phenyl]-11-methoxy-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;9-(1,9-dimethylcarbazol-2-yl)-1-methylpyrido[2,3-b]indol-1-ium;6,7-dimethyl-5-(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole;13-methoxy-9,12-dimethyl-2,17,24-triaza-9-azoniahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3,5,7,9,11(16),12,14,18,20,22-undecaene is sourced from PubChem (CID 157052364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).