13-methyl-2-azahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;17-methyl-24-azahexacyclo[12.11.0.03,12.04,9.016,25.018,23]pentacosa-1(14),2,4,6,8,10,12,16,18,20,22,24-dodecaene;23-methyl-24-azahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;13-methyl-2,5-diazahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4(9),5,7,10,12,16(25),17,19,21,23-dodecaene;13-methyl-2,5-diazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4(9),5,7,10,12,16(25),17,19,21,23-dodecaene

C123H83N7 — CID 158650957

About 13-methyl-2-azahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;17-methyl-24-azahexacyclo[12.11.0.03,12.04,9.016,25.018,23]pentacosa-1(14),2,4,6,8,10,12,16,18,20,22,24-dodecaene;23-methyl-24-azahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;13-methyl-2,5-diazahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4(9),5,7,10,12,16(25),17,19,21,23-dodecaene;13-methyl-2,5-diazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4(9),5,7,10,12,16(25),17,19,21,23-dodecaene

13-methyl-2-azahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;17-methyl-24-azahexacyclo[12.11.0.03,12.04,9.016,25.018,23]pentacosa-1(14),2,4,6,8,10,12,16,18,20,22,24-dodecaene;23-methyl-24-azahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;13-methyl-2,5-diazahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4(9),5,7,10,12,16(25),17,19,21,23-dodecaene;13-methyl-2,5-diazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4(9),5,7,10,12,16(25),17,19,21,23-dodecaene (PubChem CID 158650957) has the molecular formula C123H83N7 and a molecular weight of 1659.07 g/mol. Its IUPAC name is 13-methyl-2-azahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;17-methyl-24-azahexacyclo[12.11.0.03,12.04,9.016,25.018,23]pentacosa-1(14),2,4,6,8,10,12,16,18,20,22,24-dodecaene;23-methyl-24-azahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;13-methyl-2,5-diazahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4(9),5,7,10,12,16(25),17,19,21,23-dodecaene;13-methyl-2,5-diazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4(9),5,7,10,12,16(25),17,19,21,23-dodecaene.

Molecular Properties

• Compound Name: 13-methyl-2-azahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;17-methyl-24-azahexacyclo[12.11.0.03,12.04,9.016,25.018,23]pentacosa-1(14),2,4,6,8,10,12,16,18,20,22,24-dodecaene;23-methyl-24-azahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;13-methyl-2,5-diazahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4(9),5,7,10,12,16(25),17,19,21,23-dodecaene;13-methyl-2,5-diazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4(9),5,7,10,12,16(25),17,19,21,23-dodecaene
• PubChem CID: 158650957
• Molecular Formula: C123H83N7
• Molecular Weight: 1659.07 g/mol
• Exact Mass: 1657.67
• IUPAC Name: 13-methyl-2-azahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;17-methyl-24-azahexacyclo[12.11.0.03,12.04,9.016,25.018,23]pentacosa-1(14),2,4,6,8,10,12,16,18,20,22,24-dodecaene;23-methyl-24-azahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;13-methyl-2,5-diazahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4(9),5,7,10,12,16(25),17,19,21,23-dodecaene;13-methyl-2,5-diazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4(9),5,7,10,12,16(25),17,19,21,23-dodecaene
• SMILES: Cc1c2c(nc3c1ccc1ccccc13)-c1ccc3ccccc3c1C2.Cc1c2c(nc3c1ccc1cccnc13)-c1c(ccc3ccccc13)C2.Cc1c2c(nc3c1ccc1cccnc13)-c1ccc3ccccc3c1C2.Cc1c2c(nc3ccccc13)-c1cc3c(ccc4ccccc43)cc1C2.Cc1nc2c(c3ccccc13)Cc1cc3ccc4ccccc4c3cc1-2
• InChI: InChI=1S/3C25H17N.2C24H16N2/c1-15-18-12-10-17-7-3-5-9-20(17)24(18)26-25-21-13-11-16-6-2-4-8-19(16)23(21)14-22(15)25;1-15-19-7-4-5-9-24(19)26-25-21(15)13-18-12-17-11-10-16-6-2-3-8-20(16)22(17)14-23(18)25;1-15-19-7-4-5-9-21(19)24-13-18-12-17-11-10-16-6-2-3-8-20(16)22(17)14-23(18)25(24)26-15;1-14-17-10-9-16-6-4-12-25-22(16)24(17)26-23-19-11-8-15-5-2-3-7-18(15)21(19)13-20(14)23;1-14-18-11-10-16-6-4-12-25-22(16)24(18)26-23-20(14)13-17-9-8-15-5-2-3-7-19(15)21(17)23/h2-13H,14H2,1H3;2*2-12,14H,13H2,1H3;2*2-12H,13H2,1H3
• InChIKey: IBNXIBFXSGBCDI-UHFFFAOYSA-N
• XLogP: 30.89
• TPSA: 90.23 Ų
• H-Bond Acceptors: 7
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1659.07
LogP ≤ 5	30.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 13-methyl-2-azahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;17-methyl-24-azahexacyclo[12.11.0.03,12.04,9.016,25.018,23]pentacosa-1(14),2,4,6,8,10,12,16,18,20,22,24-dodecaene;23-methyl-24-azahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;13-methyl-2,5-diazahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4(9),5,7,10,12,16(25),17,19,21,23-dodecaene;13-methyl-2,5-diazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4(9),5,7,10,12,16(25),17,19,21,23-dodecaene?

The IUPAC name of 13-methyl-2-azahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;17-methyl-24-azahexacyclo[12.11.0.03,12.04,9.016,25.018,23]pentacosa-1(14),2,4,6,8,10,12,16,18,20,22,24-dodecaene;23-methyl-24-azahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;13-methyl-2,5-diazahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4(9),5,7,10,12,16(25),17,19,21,23-dodecaene;13-methyl-2,5-diazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4(9),5,7,10,12,16(25),17,19,21,23-dodecaene (CID 158650957) is 13-methyl-2-azahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;17-methyl-24-azahexacyclo[12.11.0.03,12.04,9.016,25.018,23]pentacosa-1(14),2,4,6,8,10,12,16,18,20,22,24-dodecaene;23-methyl-24-azahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;13-methyl-2,5-diazahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4(9),5,7,10,12,16(25),17,19,21,23-dodecaene;13-methyl-2,5-diazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4(9),5,7,10,12,16(25),17,19,21,23-dodecaene.

What is the SMILES notation for 13-methyl-2-azahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;17-methyl-24-azahexacyclo[12.11.0.03,12.04,9.016,25.018,23]pentacosa-1(14),2,4,6,8,10,12,16,18,20,22,24-dodecaene;23-methyl-24-azahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;13-methyl-2,5-diazahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4(9),5,7,10,12,16(25),17,19,21,23-dodecaene;13-methyl-2,5-diazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4(9),5,7,10,12,16(25),17,19,21,23-dodecaene?

The canonical SMILES for 13-methyl-2-azahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;17-methyl-24-azahexacyclo[12.11.0.03,12.04,9.016,25.018,23]pentacosa-1(14),2,4,6,8,10,12,16,18,20,22,24-dodecaene;23-methyl-24-azahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;13-methyl-2,5-diazahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4(9),5,7,10,12,16(25),17,19,21,23-dodecaene;13-methyl-2,5-diazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4(9),5,7,10,12,16(25),17,19,21,23-dodecaene is Cc1c2c(nc3c1ccc1ccccc13)-c1ccc3ccccc3c1C2.Cc1c2c(nc3c1ccc1cccnc13)-c1c(ccc3ccccc13)C2.Cc1c2c(nc3c1ccc1cccnc13)-c1ccc3ccccc3c1C2.Cc1c2c(nc3ccccc13)-c1cc3c(ccc4ccccc43)cc1C2.Cc1nc2c(c3ccccc13)Cc1cc3ccc4ccccc4c3cc1-2.

What is the InChIKey of 13-methyl-2-azahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;17-methyl-24-azahexacyclo[12.11.0.03,12.04,9.016,25.018,23]pentacosa-1(14),2,4,6,8,10,12,16,18,20,22,24-dodecaene;23-methyl-24-azahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;13-methyl-2,5-diazahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4(9),5,7,10,12,16(25),17,19,21,23-dodecaene;13-methyl-2,5-diazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4(9),5,7,10,12,16(25),17,19,21,23-dodecaene?

The InChIKey is IBNXIBFXSGBCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C25H17N.2C24H16N2/c1-15-18-12-10-17-7-3-5-9-20(17)24(18)26-25-21-13-11-16-6-2-4-8-19(16)23(21)14-22(15)25;1-15-19-7-4-5-9-24(19)26-25-21(15)13-18-12-17-11-10-16-6-2-3-8-20(16)22(17)14-23(18)25;1-15-19-7-4-5-9-21(19)24-13-18-12-17-11-10-16-6-2-3-8-20(16)22(17)14-23(18)25(24)26-15;1-14-17-10-9-16-6-4-12-25-22(16)24(17)26-23-19-11-8-15-5-2-3-7-18(15)21(19)13-20(14)23;1-14-18-11-10-16-6-4-12-25-22(16)24(18)26-23-20(14)13-17-9-8-15-5-2-3-7-19(15)21(17)23/h2-13H,14H2,1H3;2*2-12,14H,13H2,1H3;2*2-12H,13H2,1H3.

What are the key properties of 13-methyl-2-azahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;17-methyl-24-azahexacyclo[12.11.0.03,12.04,9.016,25.018,23]pentacosa-1(14),2,4,6,8,10,12,16,18,20,22,24-dodecaene;23-methyl-24-azahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;13-methyl-2,5-diazahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4(9),5,7,10,12,16(25),17,19,21,23-dodecaene;13-methyl-2,5-diazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4(9),5,7,10,12,16(25),17,19,21,23-dodecaene?

13-methyl-2-azahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;17-methyl-24-azahexacyclo[12.11.0.03,12.04,9.016,25.018,23]pentacosa-1(14),2,4,6,8,10,12,16,18,20,22,24-dodecaene;23-methyl-24-azahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;13-methyl-2,5-diazahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4(9),5,7,10,12,16(25),17,19,21,23-dodecaene;13-methyl-2,5-diazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4(9),5,7,10,12,16(25),17,19,21,23-dodecaene has a molecular weight of 1659.07 g/mol, XLogP of 30.89, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 13-methyl-2-azahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;17-methyl-24-azahexacyclo[12.11.0.03,12.04,9.016,25.018,23]pentacosa-1(14),2,4,6,8,10,12,16,18,20,22,24-dodecaene;23-methyl-24-azahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;13-methyl-2,5-diazahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4(9),5,7,10,12,16(25),17,19,21,23-dodecaene;13-methyl-2,5-diazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4(9),5,7,10,12,16(25),17,19,21,23-dodecaene is sourced from PubChem (CID 158650957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).