3,10,14,24-tetrazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8(13),9,11,15(23),16,18,20-undecaene

C20H12N4 — CID 160929748

About 3,10,14,24-tetrazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8(13),9,11,15(23),16,18,20-undecaene

3,10,14,24-tetrazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8(13),9,11,15(23),16,18,20-undecaene (PubChem CID 160929748) has the molecular formula C20H12N4 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3,10,14,24-tetrazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8(13),9,11,15(23),16,18,20-undecaene.

Molecular Properties

• Compound Name: 3,10,14,24-tetrazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8(13),9,11,15(23),16,18,20-undecaene
• PubChem CID: 160929748
• Molecular Formula: C20H12N4
• Molecular Weight: 308.34 g/mol
• Exact Mass: 308.11
• IUPAC Name: 3,10,14,24-tetrazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8(13),9,11,15(23),16,18,20-undecaene
• SMILES: c1ccc2c(c1)Cc1nc3c4ncccc4c4cnccc4n3c1-2
• InChI: InChI=1S/C20H12N4/c1-2-5-13-12(4-1)10-16-19(13)24-17-7-9-21-11-15(17)14-6-3-8-22-18(14)20(24)23-16/h1-9,11H,10H2
• InChIKey: RMOQDOWGKCIBHR-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 43.08 Ų
• H-Bond Acceptors: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	308.34
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,10,14,24-tetrazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8(13),9,11,15(23),16,18,20-undecaene?

The IUPAC name of 3,10,14,24-tetrazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8(13),9,11,15(23),16,18,20-undecaene (CID 160929748) is 3,10,14,24-tetrazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8(13),9,11,15(23),16,18,20-undecaene.

What is the SMILES notation for 3,10,14,24-tetrazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8(13),9,11,15(23),16,18,20-undecaene?

The canonical SMILES for 3,10,14,24-tetrazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8(13),9,11,15(23),16,18,20-undecaene is c1ccc2c(c1)Cc1nc3c4ncccc4c4cnccc4n3c1-2.

What is the InChIKey of 3,10,14,24-tetrazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8(13),9,11,15(23),16,18,20-undecaene?

The InChIKey is RMOQDOWGKCIBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N4/c1-2-5-13-12(4-1)10-16-19(13)24-17-7-9-21-11-15(17)14-6-3-8-22-18(14)20(24)23-16/h1-9,11H,10H2.

What are the key properties of 3,10,14,24-tetrazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8(13),9,11,15(23),16,18,20-undecaene?

3,10,14,24-tetrazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8(13),9,11,15(23),16,18,20-undecaene has a molecular weight of 308.34 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,10,14,24-tetrazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8(13),9,11,15(23),16,18,20-undecaene is sourced from PubChem (CID 160929748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).