10-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11,13,15,17,19,21,23-dodecaene;10,12-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;10,15-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;10,12,15-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11,13,15,17,19,21,23-dodecaene

C92H56N8 — CID 160618413

About 10-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11,13,15,17,19,21,23-dodecaene;10,12-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;10,15-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;10,12,15-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11,13,15,17,19,21,23-dodecaene

10-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11,13,15,17,19,21,23-dodecaene;10,12-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;10,15-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;10,12,15-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11,13,15,17,19,21,23-dodecaene (PubChem CID 160618413) has the molecular formula C92H56N8 and a molecular weight of 1273.52 g/mol. Its IUPAC name is 10-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11,13,15,17,19,21,23-dodecaene;10,12-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;10,15-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;10,12,15-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11,13,15,17,19,21,23-dodecaene.

Molecular Properties

• Compound Name: 10-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11,13,15,17,19,21,23-dodecaene;10,12-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;10,15-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;10,12,15-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11,13,15,17,19,21,23-dodecaene
• PubChem CID: 160618413
• Molecular Formula: C92H56N8
• Molecular Weight: 1273.52 g/mol
• Exact Mass: 1272.46
• IUPAC Name: 10-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11,13,15,17,19,21,23-dodecaene;10,12-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;10,15-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;10,12,15-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11,13,15,17,19,21,23-dodecaene
• SMILES: c1ccc2cc3c(cc2c1)c1ccccc1n1c2ccccc2cc31.c1ccc2cc3c(cc2c1)c1cccnc1n1c2ccccc2cc31.c1ccc2cc3c(cc2c1)c1ncccc1n1c2ccccc2cc31.c1ccc2cc3c(cc2c1)c1nccnc1n1c2ccccc2cc31
• InChI: InChI=1S/C24H15N.2C23H14N2.C22H13N3/c1-2-8-17-14-21-20(13-16(17)7-1)19-10-4-6-12-23(19)25-22-11-5-3-9-18(22)15-24(21)25;1-2-7-16-13-20-19(12-15(16)6-1)18-9-5-11-24-23(18)25-21-10-4-3-8-17(21)14-22(20)25;1-2-7-16-13-19-18(12-15(16)6-1)22-14-17-8-3-4-9-20(17)25(22)21-10-5-11-24-23(19)21;1-2-6-15-12-18-17(11-14(15)5-1)20-13-16-7-3-4-8-19(16)25(20)22-21(18)23-9-10-24-22/h1-15H;2*1-14H;1-13H
• InChIKey: RGJSENUDBHNXLY-UHFFFAOYSA-N
• XLogP: 23.79
• TPSA: 69.20 Ų
• H-Bond Acceptors: 8
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1273.52
LogP ≤ 5	23.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11,13,15,17,19,21,23-dodecaene;10,12-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;10,15-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;10,12,15-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11,13,15,17,19,21,23-dodecaene?

The IUPAC name of 10-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11,13,15,17,19,21,23-dodecaene;10,12-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;10,15-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;10,12,15-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11,13,15,17,19,21,23-dodecaene (CID 160618413) is 10-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11,13,15,17,19,21,23-dodecaene;10,12-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;10,15-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;10,12,15-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11,13,15,17,19,21,23-dodecaene.

What is the SMILES notation for 10-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11,13,15,17,19,21,23-dodecaene;10,12-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;10,15-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;10,12,15-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11,13,15,17,19,21,23-dodecaene?

The canonical SMILES for 10-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11,13,15,17,19,21,23-dodecaene;10,12-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;10,15-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;10,12,15-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11,13,15,17,19,21,23-dodecaene is c1ccc2cc3c(cc2c1)c1ccccc1n1c2ccccc2cc31.c1ccc2cc3c(cc2c1)c1cccnc1n1c2ccccc2cc31.c1ccc2cc3c(cc2c1)c1ncccc1n1c2ccccc2cc31.c1ccc2cc3c(cc2c1)c1nccnc1n1c2ccccc2cc31.

What is the InChIKey of 10-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11,13,15,17,19,21,23-dodecaene;10,12-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;10,15-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;10,12,15-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11,13,15,17,19,21,23-dodecaene?

The InChIKey is RGJSENUDBHNXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N.2C23H14N2.C22H13N3/c1-2-8-17-14-21-20(13-16(17)7-1)19-10-4-6-12-23(19)25-22-11-5-3-9-18(22)15-24(21)25;1-2-7-16-13-20-19(12-15(16)6-1)18-9-5-11-24-23(18)25-21-10-4-3-8-17(21)14-22(20)25;1-2-7-16-13-19-18(12-15(16)6-1)22-14-17-8-3-4-9-20(17)25(22)21-10-5-11-24-23(19)21;1-2-6-15-12-18-17(11-14(15)5-1)20-13-16-7-3-4-8-19(16)25(20)22-21(18)23-9-10-24-22/h1-15H;2*1-14H;1-13H.

What are the key properties of 10-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11,13,15,17,19,21,23-dodecaene;10,12-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;10,15-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;10,12,15-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11,13,15,17,19,21,23-dodecaene?

10-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11,13,15,17,19,21,23-dodecaene;10,12-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;10,15-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;10,12,15-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11,13,15,17,19,21,23-dodecaene has a molecular weight of 1273.52 g/mol, XLogP of 23.79, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 10-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11,13,15,17,19,21,23-dodecaene;10,12-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;10,15-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;10,12,15-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11,13,15,17,19,21,23-dodecaene is sourced from PubChem (CID 160618413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).