1,15,18,26-tetrazaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-2(14),3(11),5,7,9,12,15,17(22),18,20,23(28),24,26-tridecaene

C24H14N4 — CID 157467147

About 1,15,18,26-tetrazaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-2(14),3(11),5,7,9,12,15,17(22),18,20,23(28),24,26-tridecaene

1,15,18,26-tetrazaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-2(14),3(11),5,7,9,12,15,17(22),18,20,23(28),24,26-tridecaene (PubChem CID 157467147) has the molecular formula C24H14N4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1,15,18,26-tetrazaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-2(14),3(11),5,7,9,12,15,17(22),18,20,23(28),24,26-tridecaene.

Molecular Properties

• Compound Name: 1,15,18,26-tetrazaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-2(14),3(11),5,7,9,12,15,17(22),18,20,23(28),24,26-tridecaene
• PubChem CID: 157467147
• Molecular Formula: C24H14N4
• Molecular Weight: 358.40 g/mol
• Exact Mass: 358.12
• IUPAC Name: 1,15,18,26-tetrazaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-2(14),3(11),5,7,9,12,15,17(22),18,20,23(28),24,26-tridecaene
• SMILES: c1ccc2c(c1)Cc1c-2ccc2nc3c4ncccc4c4ccncc4n3c12
• InChI: InChI=1S/C24H14N4/c1-2-5-15-14(4-1)12-19-16(15)7-8-20-23(19)28-21-13-25-11-9-17(21)18-6-3-10-26-22(18)24(28)27-20/h1-11,13H,12H2
• InChIKey: CBZRJOSFLOHCKC-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 43.08 Ų
• H-Bond Acceptors: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	358.40
LogP ≤ 5	5.16
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 1,15,18,26-tetrazaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-2(14),3(11),5,7,9,12,15,17(22),18,20,23(28),24,26-tridecaene?

The IUPAC name of 1,15,18,26-tetrazaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-2(14),3(11),5,7,9,12,15,17(22),18,20,23(28),24,26-tridecaene (CID 157467147) is 1,15,18,26-tetrazaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-2(14),3(11),5,7,9,12,15,17(22),18,20,23(28),24,26-tridecaene.

What is the SMILES notation for 1,15,18,26-tetrazaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-2(14),3(11),5,7,9,12,15,17(22),18,20,23(28),24,26-tridecaene?

The canonical SMILES for 1,15,18,26-tetrazaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-2(14),3(11),5,7,9,12,15,17(22),18,20,23(28),24,26-tridecaene is c1ccc2c(c1)Cc1c-2ccc2nc3c4ncccc4c4ccncc4n3c12.

What is the InChIKey of 1,15,18,26-tetrazaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-2(14),3(11),5,7,9,12,15,17(22),18,20,23(28),24,26-tridecaene?

The InChIKey is CBZRJOSFLOHCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N4/c1-2-5-15-14(4-1)12-19-16(15)7-8-20-23(19)28-21-13-25-11-9-17(21)18-6-3-10-26-22(18)24(28)27-20/h1-11,13H,12H2.

What are the key properties of 1,15,18,26-tetrazaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-2(14),3(11),5,7,9,12,15,17(22),18,20,23(28),24,26-tridecaene?

1,15,18,26-tetrazaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-2(14),3(11),5,7,9,12,15,17(22),18,20,23(28),24,26-tridecaene has a molecular weight of 358.40 g/mol, XLogP of 5.16, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,15,18,26-tetrazaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-2(14),3(11),5,7,9,12,15,17(22),18,20,23(28),24,26-tridecaene is sourced from PubChem (CID 157467147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).