10-methyl-4-[2-(10-methyl-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-4-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene

C32H24N6 — CID 140693827

About 10-methyl-4-[2-(10-methyl-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-4-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene

10-methyl-4-[2-(10-methyl-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-4-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene (PubChem CID 140693827) has the molecular formula C32H24N6 and a molecular weight of 492.59 g/mol. Its IUPAC name is 10-methyl-4-[2-(10-methyl-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-4-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene.

Molecular Properties

• Compound Name: 10-methyl-4-[2-(10-methyl-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-4-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene
• PubChem CID: 140693827
• Molecular Formula: C32H24N6
• Molecular Weight: 492.59 g/mol
• Exact Mass: 492.21
• IUPAC Name: 10-methyl-4-[2-(10-methyl-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-4-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene
• SMILES: Cc1ccc2c(n1)c1ccccc1n1cc(CCc3cn4c5ccccc5c5nc(C)ccc5c4n3)nc21
• InChI: InChI=1S/C32H24N6/c1-19-11-15-25-29(33-19)23-7-3-5-9-27(23)37-17-21(35-31(25)37)13-14-22-18-38-28-10-6-4-8-24(28)30-26(32(38)36-22)16-12-20(2)34-30/h3-12,15-18H,13-14H2,1-2H3
• InChIKey: DAPZFCFYDZEUFG-UHFFFAOYSA-N
• XLogP: 6.79
• TPSA: 60.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.59
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-methyl-4-[2-(10-methyl-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-4-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene?

The IUPAC name of 10-methyl-4-[2-(10-methyl-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-4-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene (CID 140693827) is 10-methyl-4-[2-(10-methyl-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-4-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene.

What is the SMILES notation for 10-methyl-4-[2-(10-methyl-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-4-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene?

The canonical SMILES for 10-methyl-4-[2-(10-methyl-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-4-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene is Cc1ccc2c(n1)c1ccccc1n1cc(CCc3cn4c5ccccc5c5nc(C)ccc5c4n3)nc21.

What is the InChIKey of 10-methyl-4-[2-(10-methyl-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-4-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene?

The InChIKey is DAPZFCFYDZEUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N6/c1-19-11-15-25-29(33-19)23-7-3-5-9-27(23)37-17-21(35-31(25)37)13-14-22-18-38-28-10-6-4-8-24(28)30-26(32(38)36-22)16-12-20(2)34-30/h3-12,15-18H,13-14H2,1-2H3.

What are the key properties of 10-methyl-4-[2-(10-methyl-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-4-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene?

10-methyl-4-[2-(10-methyl-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-4-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene has a molecular weight of 492.59 g/mol, XLogP of 6.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-methyl-4-[2-(10-methyl-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-4-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene is sourced from PubChem (CID 140693827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).