3,5-dimethyl-17-(1-methylpyrido[2,3-b]indol-1-ium-9-yl)-4-naphthalen-1-yl-12-oxa-6-aza-2-azoniapentacyclo[9.7.1.02,6.07,19.013,18]nonadeca-2,4,7(19),8,10,13,15,17-octaene;3,5-dimethyl-4-naphthalen-1-yl-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;3,5-dimethyl-4-naphthalen-1-yl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-naphthalen-1-yl-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene

C151H106N15O5+7 — CID 157371890

About 3,5-dimethyl-17-(1-methylpyrido[2,3-b]indol-1-ium-9-yl)-4-naphthalen-1-yl-12-oxa-6-aza-2-azoniapentacyclo[9.7.1.02,6.07,19.013,18]nonadeca-2,4,7(19),8,10,13,15,17-octaene;3,5-dimethyl-4-naphthalen-1-yl-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;3,5-dimethyl-4-naphthalen-1-yl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-naphthalen-1-yl-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene

3,5-dimethyl-17-(1-methylpyrido[2,3-b]indol-1-ium-9-yl)-4-naphthalen-1-yl-12-oxa-6-aza-2-azoniapentacyclo[9.7.1.02,6.07,19.013,18]nonadeca-2,4,7(19),8,10,13,15,17-octaene;3,5-dimethyl-4-naphthalen-1-yl-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;3,5-dimethyl-4-naphthalen-1-yl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-naphthalen-1-yl-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene (PubChem CID 157371890) has the molecular formula C151H106N15O5+7 and a molecular weight of 2210.61 g/mol. Its IUPAC name is 3,5-dimethyl-17-(1-methylpyrido[2,3-b]indol-1-ium-9-yl)-4-naphthalen-1-yl-12-oxa-6-aza-2-azoniapentacyclo[9.7.1.02,6.07,19.013,18]nonadeca-2,4,7(19),8,10,13,15,17-octaene;3,5-dimethyl-4-naphthalen-1-yl-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;3,5-dimethyl-4-naphthalen-1-yl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-naphthalen-1-yl-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene.

Molecular Properties

• Compound Name: 3,5-dimethyl-17-(1-methylpyrido[2,3-b]indol-1-ium-9-yl)-4-naphthalen-1-yl-12-oxa-6-aza-2-azoniapentacyclo[9.7.1.02,6.07,19.013,18]nonadeca-2,4,7(19),8,10,13,15,17-octaene;3,5-dimethyl-4-naphthalen-1-yl-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;3,5-dimethyl-4-naphthalen-1-yl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-naphthalen-1-yl-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene
• PubChem CID: 157371890
• Molecular Formula: C151H106N15O5+7
• Molecular Weight: 2210.61 g/mol
• Exact Mass: 2208.85
• IUPAC Name: 3,5-dimethyl-17-(1-methylpyrido[2,3-b]indol-1-ium-9-yl)-4-naphthalen-1-yl-12-oxa-6-aza-2-azoniapentacyclo[9.7.1.02,6.07,19.013,18]nonadeca-2,4,7(19),8,10,13,15,17-octaene;3,5-dimethyl-4-naphthalen-1-yl-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;3,5-dimethyl-4-naphthalen-1-yl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-naphthalen-1-yl-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene
• SMILES: CC1=C(c2cccc3ccccc23)N(C)C2N1c1cccc3c1C21c2c(ccc4c5ccccc5n(c24)-c2cccc[n+]21)O3.Cc1c(-c2cccc3ccccc23)c(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n(c24)-c2cccc[n+]21)O3.Cc1c(-c2cccc3ccccc23)c(C)[n+]2n1-c1cccc3c1C21c2c(cccc2Oc2cccc[n+]21)O3.Cc1c(-c2cccc3ccccc23)c(C)[n+]2n1-c1cccc3c1C2c1c(cccc1-n1c2ccccc2c2ccc[n+](C)c21)O3
• InChI: InChI=1S/C40H30N4O.C39H27N4O.C39H26N4O.C33H23N3O2/c1-24-36(29-16-8-13-26-12-4-5-14-27(26)29)25(2)44-39-37-32(19-9-21-34(37)45-35-22-10-20-33(38(35)39)43(24)44)42-31-18-7-6-15-28(31)30-17-11-23-41(3)40(30)42;1-23-36(27-15-9-12-24-11-3-4-13-25(24)27)40(2)38-39-34-30(42(23)38)17-10-18-31(34)44-32-21-20-28-26-14-5-6-16-29(26)43(37(28)35(32)39)33-19-7-8-22-41(33)39;1-23-35(28-15-9-12-25-11-3-4-13-26(25)28)24(2)43-39-36-31(42(23)43)17-10-18-32(36)44-33-21-20-29-27-14-5-6-16-30(27)41(38(29)37(33)39)34-19-7-8-22-40(34)39;1-20-30(24-13-7-11-22-10-3-4-12-23(22)24)21(2)36-33-31-25(35(20)36)14-8-15-26(31)37-27-16-9-17-28(32(27)33)38-29-18-5-6-19-34(29)33/h4-23,39H,1-3H3;3-22,38H,1-2H3;3-22H,1-2H3;3-19H,1-2H3/q+2;+1;2*+2
• InChIKey: LNVXHBZYBHVQHH-UHFFFAOYSA-N
• XLogP: 30.02
• TPSA: 109.37 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 5
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2210.61
LogP ≤ 5	30.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-17-(1-methylpyrido[2,3-b]indol-1-ium-9-yl)-4-naphthalen-1-yl-12-oxa-6-aza-2-azoniapentacyclo[9.7.1.02,6.07,19.013,18]nonadeca-2,4,7(19),8,10,13,15,17-octaene;3,5-dimethyl-4-naphthalen-1-yl-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;3,5-dimethyl-4-naphthalen-1-yl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-naphthalen-1-yl-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene?

The IUPAC name of 3,5-dimethyl-17-(1-methylpyrido[2,3-b]indol-1-ium-9-yl)-4-naphthalen-1-yl-12-oxa-6-aza-2-azoniapentacyclo[9.7.1.02,6.07,19.013,18]nonadeca-2,4,7(19),8,10,13,15,17-octaene;3,5-dimethyl-4-naphthalen-1-yl-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;3,5-dimethyl-4-naphthalen-1-yl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-naphthalen-1-yl-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene (CID 157371890) is 3,5-dimethyl-17-(1-methylpyrido[2,3-b]indol-1-ium-9-yl)-4-naphthalen-1-yl-12-oxa-6-aza-2-azoniapentacyclo[9.7.1.02,6.07,19.013,18]nonadeca-2,4,7(19),8,10,13,15,17-octaene;3,5-dimethyl-4-naphthalen-1-yl-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;3,5-dimethyl-4-naphthalen-1-yl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-naphthalen-1-yl-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene.

What is the SMILES notation for 3,5-dimethyl-17-(1-methylpyrido[2,3-b]indol-1-ium-9-yl)-4-naphthalen-1-yl-12-oxa-6-aza-2-azoniapentacyclo[9.7.1.02,6.07,19.013,18]nonadeca-2,4,7(19),8,10,13,15,17-octaene;3,5-dimethyl-4-naphthalen-1-yl-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;3,5-dimethyl-4-naphthalen-1-yl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-naphthalen-1-yl-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene?

The canonical SMILES for 3,5-dimethyl-17-(1-methylpyrido[2,3-b]indol-1-ium-9-yl)-4-naphthalen-1-yl-12-oxa-6-aza-2-azoniapentacyclo[9.7.1.02,6.07,19.013,18]nonadeca-2,4,7(19),8,10,13,15,17-octaene;3,5-dimethyl-4-naphthalen-1-yl-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;3,5-dimethyl-4-naphthalen-1-yl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-naphthalen-1-yl-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene is CC1=C(c2cccc3ccccc23)N(C)C2N1c1cccc3c1C21c2c(ccc4c5ccccc5n(c24)-c2cccc[n+]21)O3.Cc1c(-c2cccc3ccccc23)c(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n(c24)-c2cccc[n+]21)O3.Cc1c(-c2cccc3ccccc23)c(C)[n+]2n1-c1cccc3c1C21c2c(cccc2Oc2cccc[n+]21)O3.Cc1c(-c2cccc3ccccc23)c(C)[n+]2n1-c1cccc3c1C2c1c(cccc1-n1c2ccccc2c2ccc[n+](C)c21)O3.

What is the InChIKey of 3,5-dimethyl-17-(1-methylpyrido[2,3-b]indol-1-ium-9-yl)-4-naphthalen-1-yl-12-oxa-6-aza-2-azoniapentacyclo[9.7.1.02,6.07,19.013,18]nonadeca-2,4,7(19),8,10,13,15,17-octaene;3,5-dimethyl-4-naphthalen-1-yl-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;3,5-dimethyl-4-naphthalen-1-yl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-naphthalen-1-yl-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene?

The InChIKey is LNVXHBZYBHVQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N4O.C39H27N4O.C39H26N4O.C33H23N3O2/c1-24-36(29-16-8-13-26-12-4-5-14-27(26)29)25(2)44-39-37-32(19-9-21-34(37)45-35-22-10-20-33(38(35)39)43(24)44)42-31-18-7-6-15-28(31)30-17-11-23-41(3)40(30)42;1-23-36(27-15-9-12-24-11-3-4-13-25(24)27)40(2)38-39-34-30(42(23)38)17-10-18-31(34)44-32-21-20-28-26-14-5-6-16-29(26)43(37(28)35(32)39)33-19-7-8-22-41(33)39;1-23-35(28-15-9-12-25-11-3-4-13-26(25)28)24(2)43-39-36-31(42(23)43)17-10-18-32(36)44-33-21-20-29-27-14-5-6-16-30(27)41(38(29)37(33)39)34-19-7-8-22-40(34)39;1-20-30(24-13-7-11-22-10-3-4-12-23(22)24)21(2)36-33-31-25(35(20)36)14-8-15-26(31)37-27-16-9-17-28(32(27)33)38-29-18-5-6-19-34(29)33/h4-23,39H,1-3H3;3-22,38H,1-2H3;3-22H,1-2H3;3-19H,1-2H3/q+2;+1;2*+2.

What are the key properties of 3,5-dimethyl-17-(1-methylpyrido[2,3-b]indol-1-ium-9-yl)-4-naphthalen-1-yl-12-oxa-6-aza-2-azoniapentacyclo[9.7.1.02,6.07,19.013,18]nonadeca-2,4,7(19),8,10,13,15,17-octaene;3,5-dimethyl-4-naphthalen-1-yl-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;3,5-dimethyl-4-naphthalen-1-yl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-naphthalen-1-yl-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene?

3,5-dimethyl-17-(1-methylpyrido[2,3-b]indol-1-ium-9-yl)-4-naphthalen-1-yl-12-oxa-6-aza-2-azoniapentacyclo[9.7.1.02,6.07,19.013,18]nonadeca-2,4,7(19),8,10,13,15,17-octaene;3,5-dimethyl-4-naphthalen-1-yl-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;3,5-dimethyl-4-naphthalen-1-yl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-naphthalen-1-yl-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene has a molecular weight of 2210.61 g/mol, XLogP of 30.02, 5 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-17-(1-methylpyrido[2,3-b]indol-1-ium-9-yl)-4-naphthalen-1-yl-12-oxa-6-aza-2-azoniapentacyclo[9.7.1.02,6.07,19.013,18]nonadeca-2,4,7(19),8,10,13,15,17-octaene;3,5-dimethyl-4-naphthalen-1-yl-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;3,5-dimethyl-4-naphthalen-1-yl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-naphthalen-1-yl-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene is sourced from PubChem (CID 157371890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).