14,17-dimethyl-1,3,10-triaza-17-azoniaheptacyclo[13.9.1.116,20.02,10.04,9.011,25.024,26]hexacosa-2,4,6,8,11(25),12,14,16,18,20(26)-decaene;15,18-dimethyl-2,4,11-triaza-18-azoniaoctacyclo[20.2.2.11,17.12,12.03,11.05,10.016,28.021,27]octacosa-3,5,7,9,12(28),13,15,17,19,21(27)-decaene;(13S)-4,5,10,13,14,17,17-heptamethyl-1,3,6,12,14-pentazapentacyclo[9.6.1.02,6.07,18.012,16]octadeca-2,4,7(18),8,10,15-hexaene;4,5,10,13,18,18-hexamethyl-1,3,6,15-tetraza-13-azoniapentacyclo[9.7.1.02,6.07,19.012,17]nonadeca-2,4,7(19),8,10,12,14,16-octaene;4,5,10,13,18,18-hexamethyl-1,3,6,16-tetraza-13-azoniapentacyclo[9.7.1.02,6.07,19.012,17]nonadeca-2,4,7(19),8,10,12,14,16-octaene

C110H113N23+4 — CID 157159124

About 14,17-dimethyl-1,3,10-triaza-17-azoniaheptacyclo[13.9.1.116,20.02,10.04,9.011,25.024,26]hexacosa-2,4,6,8,11(25),12,14,16,18,20(26)-decaene;15,18-dimethyl-2,4,11-triaza-18-azoniaoctacyclo[20.2.2.11,17.12,12.03,11.05,10.016,28.021,27]octacosa-3,5,7,9,12(28),13,15,17,19,21(27)-decaene;(13S)-4,5,10,13,14,17,17-heptamethyl-1,3,6,12,14-pentazapentacyclo[9.6.1.02,6.07,18.012,16]octadeca-2,4,7(18),8,10,15-hexaene;4,5,10,13,18,18-hexamethyl-1,3,6,15-tetraza-13-azoniapentacyclo[9.7.1.02,6.07,19.012,17]nonadeca-2,4,7(19),8,10,12,14,16-octaene;4,5,10,13,18,18-hexamethyl-1,3,6,16-tetraza-13-azoniapentacyclo[9.7.1.02,6.07,19.012,17]nonadeca-2,4,7(19),8,10,12,14,16-octaene

14,17-dimethyl-1,3,10-triaza-17-azoniaheptacyclo[13.9.1.116,20.02,10.04,9.011,25.024,26]hexacosa-2,4,6,8,11(25),12,14,16,18,20(26)-decaene;15,18-dimethyl-2,4,11-triaza-18-azoniaoctacyclo[20.2.2.11,17.12,12.03,11.05,10.016,28.021,27]octacosa-3,5,7,9,12(28),13,15,17,19,21(27)-decaene;(13S)-4,5,10,13,14,17,17-heptamethyl-1,3,6,12,14-pentazapentacyclo[9.6.1.02,6.07,18.012,16]octadeca-2,4,7(18),8,10,15-hexaene;4,5,10,13,18,18-hexamethyl-1,3,6,15-tetraza-13-azoniapentacyclo[9.7.1.02,6.07,19.012,17]nonadeca-2,4,7(19),8,10,12,14,16-octaene;4,5,10,13,18,18-hexamethyl-1,3,6,16-tetraza-13-azoniapentacyclo[9.7.1.02,6.07,19.012,17]nonadeca-2,4,7(19),8,10,12,14,16-octaene (PubChem CID 157159124) has the molecular formula C110H113N23+4 and a molecular weight of 1757.27 g/mol. Its IUPAC name is 14,17-dimethyl-1,3,10-triaza-17-azoniaheptacyclo[13.9.1.116,20.02,10.04,9.011,25.024,26]hexacosa-2,4,6,8,11(25),12,14,16,18,20(26)-decaene;15,18-dimethyl-2,4,11-triaza-18-azoniaoctacyclo[20.2.2.11,17.12,12.03,11.05,10.016,28.021,27]octacosa-3,5,7,9,12(28),13,15,17,19,21(27)-decaene;(13S)-4,5,10,13,14,17,17-heptamethyl-1,3,6,12,14-pentazapentacyclo[9.6.1.02,6.07,18.012,16]octadeca-2,4,7(18),8,10,15-hexaene;4,5,10,13,18,18-hexamethyl-1,3,6,15-tetraza-13-azoniapentacyclo[9.7.1.02,6.07,19.012,17]nonadeca-2,4,7(19),8,10,12,14,16-octaene;4,5,10,13,18,18-hexamethyl-1,3,6,16-tetraza-13-azoniapentacyclo[9.7.1.02,6.07,19.012,17]nonadeca-2,4,7(19),8,10,12,14,16-octaene.

Molecular Properties

• Compound Name: 14,17-dimethyl-1,3,10-triaza-17-azoniaheptacyclo[13.9.1.116,20.02,10.04,9.011,25.024,26]hexacosa-2,4,6,8,11(25),12,14,16,18,20(26)-decaene;15,18-dimethyl-2,4,11-triaza-18-azoniaoctacyclo[20.2.2.11,17.12,12.03,11.05,10.016,28.021,27]octacosa-3,5,7,9,12(28),13,15,17,19,21(27)-decaene;(13S)-4,5,10,13,14,17,17-heptamethyl-1,3,6,12,14-pentazapentacyclo[9.6.1.02,6.07,18.012,16]octadeca-2,4,7(18),8,10,15-hexaene;4,5,10,13,18,18-hexamethyl-1,3,6,15-tetraza-13-azoniapentacyclo[9.7.1.02,6.07,19.012,17]nonadeca-2,4,7(19),8,10,12,14,16-octaene;4,5,10,13,18,18-hexamethyl-1,3,6,16-tetraza-13-azoniapentacyclo[9.7.1.02,6.07,19.012,17]nonadeca-2,4,7(19),8,10,12,14,16-octaene
• PubChem CID: 157159124
• Molecular Formula: C110H113N23+4
• Molecular Weight: 1757.27 g/mol
• Exact Mass: 1755.95
• IUPAC Name: 14,17-dimethyl-1,3,10-triaza-17-azoniaheptacyclo[13.9.1.116,20.02,10.04,9.011,25.024,26]hexacosa-2,4,6,8,11(25),12,14,16,18,20(26)-decaene;15,18-dimethyl-2,4,11-triaza-18-azoniaoctacyclo[20.2.2.11,17.12,12.03,11.05,10.016,28.021,27]octacosa-3,5,7,9,12(28),13,15,17,19,21(27)-decaene;(13S)-4,5,10,13,14,17,17-heptamethyl-1,3,6,12,14-pentazapentacyclo[9.6.1.02,6.07,18.012,16]octadeca-2,4,7(18),8,10,15-hexaene;4,5,10,13,18,18-hexamethyl-1,3,6,15-tetraza-13-azoniapentacyclo[9.7.1.02,6.07,19.012,17]nonadeca-2,4,7(19),8,10,12,14,16-octaene;4,5,10,13,18,18-hexamethyl-1,3,6,16-tetraza-13-azoniapentacyclo[9.7.1.02,6.07,19.012,17]nonadeca-2,4,7(19),8,10,12,14,16-octaene
• SMILES: Cc1ccc2c3c1-c1c(cnc[n+]1C)C(C)(C)n3c1nc(C)c(C)n21.Cc1ccc2c3c1-c1c(ncc[n+]1C)C(C)(C)n3c1nc(C)c(C)n21.Cc1ccc2c3c1-c1c4c(cc[n+]1C)C1CCC4(CC1)n3c1nc3ccccc3n21.Cc1ccc2c3c1-c1c4c(cc[n+]1C)CCCC4n3c1nc3ccccc3n21.Cc1ccc2c3c1N1C(=CN(C)[C@@H]1C)C(C)(C)n3c1nc(C)c(C)n21
• InChI: InChI=1S/C26H23N4.C24H21N4.C20H25N5.2C20H22N5/c1-15-7-8-20-23-21(15)24-22-17(11-14-28(24)2)16-9-12-26(22,13-10-16)30(23)25-27-18-5-3-4-6-19(18)29(20)25;1-14-10-11-19-22-20(14)23-21-15(12-13-26(23)2)6-5-9-18(21)28(22)24-25-16-7-3-4-8-17(16)27(19)24;1-11-8-9-15-18-17(11)24-14(4)22(7)10-16(24)20(5,6)25(18)19-21-12(2)13(3)23(15)19;1-11-7-8-15-18-16(11)17-14(9-21-10-23(17)6)20(4,5)25(18)19-22-12(2)13(3)24(15)19;1-11-7-8-14-16-15(11)17-18(21-9-10-23(17)6)20(4,5)25(16)19-22-12(2)13(3)24(14)19/h3-8,11,14,16H,9-10,12-13H2,1-2H3;3-4,7-8,10-13,18H,5-6,9H2,1-2H3;8-10,14H,1-7H3;2*7-10H,1-6H3/q2*+1;;2*+1/t;;14-;;/m..0../s1
• InChIKey: RTTGBFRIOVTEGP-GLAWKEQLSA-N
• XLogP: 19.75
• TPSA: 158.93 Ų
• H-Bond Acceptors: 19
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1757.27
LogP ≤ 5	19.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14,17-dimethyl-1,3,10-triaza-17-azoniaheptacyclo[13.9.1.116,20.02,10.04,9.011,25.024,26]hexacosa-2,4,6,8,11(25),12,14,16,18,20(26)-decaene;15,18-dimethyl-2,4,11-triaza-18-azoniaoctacyclo[20.2.2.11,17.12,12.03,11.05,10.016,28.021,27]octacosa-3,5,7,9,12(28),13,15,17,19,21(27)-decaene;(13S)-4,5,10,13,14,17,17-heptamethyl-1,3,6,12,14-pentazapentacyclo[9.6.1.02,6.07,18.012,16]octadeca-2,4,7(18),8,10,15-hexaene;4,5,10,13,18,18-hexamethyl-1,3,6,15-tetraza-13-azoniapentacyclo[9.7.1.02,6.07,19.012,17]nonadeca-2,4,7(19),8,10,12,14,16-octaene;4,5,10,13,18,18-hexamethyl-1,3,6,16-tetraza-13-azoniapentacyclo[9.7.1.02,6.07,19.012,17]nonadeca-2,4,7(19),8,10,12,14,16-octaene?

The IUPAC name of 14,17-dimethyl-1,3,10-triaza-17-azoniaheptacyclo[13.9.1.116,20.02,10.04,9.011,25.024,26]hexacosa-2,4,6,8,11(25),12,14,16,18,20(26)-decaene;15,18-dimethyl-2,4,11-triaza-18-azoniaoctacyclo[20.2.2.11,17.12,12.03,11.05,10.016,28.021,27]octacosa-3,5,7,9,12(28),13,15,17,19,21(27)-decaene;(13S)-4,5,10,13,14,17,17-heptamethyl-1,3,6,12,14-pentazapentacyclo[9.6.1.02,6.07,18.012,16]octadeca-2,4,7(18),8,10,15-hexaene;4,5,10,13,18,18-hexamethyl-1,3,6,15-tetraza-13-azoniapentacyclo[9.7.1.02,6.07,19.012,17]nonadeca-2,4,7(19),8,10,12,14,16-octaene;4,5,10,13,18,18-hexamethyl-1,3,6,16-tetraza-13-azoniapentacyclo[9.7.1.02,6.07,19.012,17]nonadeca-2,4,7(19),8,10,12,14,16-octaene (CID 157159124) is 14,17-dimethyl-1,3,10-triaza-17-azoniaheptacyclo[13.9.1.116,20.02,10.04,9.011,25.024,26]hexacosa-2,4,6,8,11(25),12,14,16,18,20(26)-decaene;15,18-dimethyl-2,4,11-triaza-18-azoniaoctacyclo[20.2.2.11,17.12,12.03,11.05,10.016,28.021,27]octacosa-3,5,7,9,12(28),13,15,17,19,21(27)-decaene;(13S)-4,5,10,13,14,17,17-heptamethyl-1,3,6,12,14-pentazapentacyclo[9.6.1.02,6.07,18.012,16]octadeca-2,4,7(18),8,10,15-hexaene;4,5,10,13,18,18-hexamethyl-1,3,6,15-tetraza-13-azoniapentacyclo[9.7.1.02,6.07,19.012,17]nonadeca-2,4,7(19),8,10,12,14,16-octaene;4,5,10,13,18,18-hexamethyl-1,3,6,16-tetraza-13-azoniapentacyclo[9.7.1.02,6.07,19.012,17]nonadeca-2,4,7(19),8,10,12,14,16-octaene.

What is the SMILES notation for 14,17-dimethyl-1,3,10-triaza-17-azoniaheptacyclo[13.9.1.116,20.02,10.04,9.011,25.024,26]hexacosa-2,4,6,8,11(25),12,14,16,18,20(26)-decaene;15,18-dimethyl-2,4,11-triaza-18-azoniaoctacyclo[20.2.2.11,17.12,12.03,11.05,10.016,28.021,27]octacosa-3,5,7,9,12(28),13,15,17,19,21(27)-decaene;(13S)-4,5,10,13,14,17,17-heptamethyl-1,3,6,12,14-pentazapentacyclo[9.6.1.02,6.07,18.012,16]octadeca-2,4,7(18),8,10,15-hexaene;4,5,10,13,18,18-hexamethyl-1,3,6,15-tetraza-13-azoniapentacyclo[9.7.1.02,6.07,19.012,17]nonadeca-2,4,7(19),8,10,12,14,16-octaene;4,5,10,13,18,18-hexamethyl-1,3,6,16-tetraza-13-azoniapentacyclo[9.7.1.02,6.07,19.012,17]nonadeca-2,4,7(19),8,10,12,14,16-octaene?

The canonical SMILES for 14,17-dimethyl-1,3,10-triaza-17-azoniaheptacyclo[13.9.1.116,20.02,10.04,9.011,25.024,26]hexacosa-2,4,6,8,11(25),12,14,16,18,20(26)-decaene;15,18-dimethyl-2,4,11-triaza-18-azoniaoctacyclo[20.2.2.11,17.12,12.03,11.05,10.016,28.021,27]octacosa-3,5,7,9,12(28),13,15,17,19,21(27)-decaene;(13S)-4,5,10,13,14,17,17-heptamethyl-1,3,6,12,14-pentazapentacyclo[9.6.1.02,6.07,18.012,16]octadeca-2,4,7(18),8,10,15-hexaene;4,5,10,13,18,18-hexamethyl-1,3,6,15-tetraza-13-azoniapentacyclo[9.7.1.02,6.07,19.012,17]nonadeca-2,4,7(19),8,10,12,14,16-octaene;4,5,10,13,18,18-hexamethyl-1,3,6,16-tetraza-13-azoniapentacyclo[9.7.1.02,6.07,19.012,17]nonadeca-2,4,7(19),8,10,12,14,16-octaene is Cc1ccc2c3c1-c1c(cnc[n+]1C)C(C)(C)n3c1nc(C)c(C)n21.Cc1ccc2c3c1-c1c(ncc[n+]1C)C(C)(C)n3c1nc(C)c(C)n21.Cc1ccc2c3c1-c1c4c(cc[n+]1C)C1CCC4(CC1)n3c1nc3ccccc3n21.Cc1ccc2c3c1-c1c4c(cc[n+]1C)CCCC4n3c1nc3ccccc3n21.Cc1ccc2c3c1N1C(=CN(C)[C@@H]1C)C(C)(C)n3c1nc(C)c(C)n21.

What is the InChIKey of 14,17-dimethyl-1,3,10-triaza-17-azoniaheptacyclo[13.9.1.116,20.02,10.04,9.011,25.024,26]hexacosa-2,4,6,8,11(25),12,14,16,18,20(26)-decaene;15,18-dimethyl-2,4,11-triaza-18-azoniaoctacyclo[20.2.2.11,17.12,12.03,11.05,10.016,28.021,27]octacosa-3,5,7,9,12(28),13,15,17,19,21(27)-decaene;(13S)-4,5,10,13,14,17,17-heptamethyl-1,3,6,12,14-pentazapentacyclo[9.6.1.02,6.07,18.012,16]octadeca-2,4,7(18),8,10,15-hexaene;4,5,10,13,18,18-hexamethyl-1,3,6,15-tetraza-13-azoniapentacyclo[9.7.1.02,6.07,19.012,17]nonadeca-2,4,7(19),8,10,12,14,16-octaene;4,5,10,13,18,18-hexamethyl-1,3,6,16-tetraza-13-azoniapentacyclo[9.7.1.02,6.07,19.012,17]nonadeca-2,4,7(19),8,10,12,14,16-octaene?

The InChIKey is RTTGBFRIOVTEGP-GLAWKEQLSA-N. The full InChI is InChI=1S/C26H23N4.C24H21N4.C20H25N5.2C20H22N5/c1-15-7-8-20-23-21(15)24-22-17(11-14-28(24)2)16-9-12-26(22,13-10-16)30(23)25-27-18-5-3-4-6-19(18)29(20)25;1-14-10-11-19-22-20(14)23-21-15(12-13-26(23)2)6-5-9-18(21)28(22)24-25-16-7-3-4-8-17(16)27(19)24;1-11-8-9-15-18-17(11)24-14(4)22(7)10-16(24)20(5,6)25(18)19-21-12(2)13(3)23(15)19;1-11-7-8-15-18-16(11)17-14(9-21-10-23(17)6)20(4,5)25(18)19-22-12(2)13(3)24(15)19;1-11-7-8-14-16-15(11)17-18(21-9-10-23(17)6)20(4,5)25(16)19-22-12(2)13(3)24(14)19/h3-8,11,14,16H,9-10,12-13H2,1-2H3;3-4,7-8,10-13,18H,5-6,9H2,1-2H3;8-10,14H,1-7H3;2*7-10H,1-6H3/q2*+1;;2*+1/t;;14-;;/m..0../s1.

What are the key properties of 14,17-dimethyl-1,3,10-triaza-17-azoniaheptacyclo[13.9.1.116,20.02,10.04,9.011,25.024,26]hexacosa-2,4,6,8,11(25),12,14,16,18,20(26)-decaene;15,18-dimethyl-2,4,11-triaza-18-azoniaoctacyclo[20.2.2.11,17.12,12.03,11.05,10.016,28.021,27]octacosa-3,5,7,9,12(28),13,15,17,19,21(27)-decaene;(13S)-4,5,10,13,14,17,17-heptamethyl-1,3,6,12,14-pentazapentacyclo[9.6.1.02,6.07,18.012,16]octadeca-2,4,7(18),8,10,15-hexaene;4,5,10,13,18,18-hexamethyl-1,3,6,15-tetraza-13-azoniapentacyclo[9.7.1.02,6.07,19.012,17]nonadeca-2,4,7(19),8,10,12,14,16-octaene;4,5,10,13,18,18-hexamethyl-1,3,6,16-tetraza-13-azoniapentacyclo[9.7.1.02,6.07,19.012,17]nonadeca-2,4,7(19),8,10,12,14,16-octaene?

14,17-dimethyl-1,3,10-triaza-17-azoniaheptacyclo[13.9.1.116,20.02,10.04,9.011,25.024,26]hexacosa-2,4,6,8,11(25),12,14,16,18,20(26)-decaene;15,18-dimethyl-2,4,11-triaza-18-azoniaoctacyclo[20.2.2.11,17.12,12.03,11.05,10.016,28.021,27]octacosa-3,5,7,9,12(28),13,15,17,19,21(27)-decaene;(13S)-4,5,10,13,14,17,17-heptamethyl-1,3,6,12,14-pentazapentacyclo[9.6.1.02,6.07,18.012,16]octadeca-2,4,7(18),8,10,15-hexaene;4,5,10,13,18,18-hexamethyl-1,3,6,15-tetraza-13-azoniapentacyclo[9.7.1.02,6.07,19.012,17]nonadeca-2,4,7(19),8,10,12,14,16-octaene;4,5,10,13,18,18-hexamethyl-1,3,6,16-tetraza-13-azoniapentacyclo[9.7.1.02,6.07,19.012,17]nonadeca-2,4,7(19),8,10,12,14,16-octaene has a molecular weight of 1757.27 g/mol, XLogP of 19.75, 0 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 14,17-dimethyl-1,3,10-triaza-17-azoniaheptacyclo[13.9.1.116,20.02,10.04,9.011,25.024,26]hexacosa-2,4,6,8,11(25),12,14,16,18,20(26)-decaene;15,18-dimethyl-2,4,11-triaza-18-azoniaoctacyclo[20.2.2.11,17.12,12.03,11.05,10.016,28.021,27]octacosa-3,5,7,9,12(28),13,15,17,19,21(27)-decaene;(13S)-4,5,10,13,14,17,17-heptamethyl-1,3,6,12,14-pentazapentacyclo[9.6.1.02,6.07,18.012,16]octadeca-2,4,7(18),8,10,15-hexaene;4,5,10,13,18,18-hexamethyl-1,3,6,15-tetraza-13-azoniapentacyclo[9.7.1.02,6.07,19.012,17]nonadeca-2,4,7(19),8,10,12,14,16-octaene;4,5,10,13,18,18-hexamethyl-1,3,6,16-tetraza-13-azoniapentacyclo[9.7.1.02,6.07,19.012,17]nonadeca-2,4,7(19),8,10,12,14,16-octaene is sourced from PubChem (CID 157159124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).