3,7,10,15-tetrazaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),2,4(9),5,7,11(16),12,14,18,20(28),21,23,25-tridecaene

C24H14N4 — CID 159713710

About 3,7,10,15-tetrazaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),2,4(9),5,7,11(16),12,14,18,20(28),21,23,25-tridecaene

3,7,10,15-tetrazaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),2,4(9),5,7,11(16),12,14,18,20(28),21,23,25-tridecaene (PubChem CID 159713710) has the molecular formula C24H14N4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 3,7,10,15-tetrazaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),2,4(9),5,7,11(16),12,14,18,20(28),21,23,25-tridecaene.

Molecular Properties

• Compound Name: 3,7,10,15-tetrazaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),2,4(9),5,7,11(16),12,14,18,20(28),21,23,25-tridecaene
• PubChem CID: 159713710
• Molecular Formula: C24H14N4
• Molecular Weight: 358.40 g/mol
• Exact Mass: 358.12
• IUPAC Name: 3,7,10,15-tetrazaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),2,4(9),5,7,11(16),12,14,18,20(28),21,23,25-tridecaene
• SMILES: c1ccc2c(c1)Cc1c-2ccc2c3ncccc3n3c4cnccc4nc3c12
• InChI: InChI=1S/C24H14N4/c1-2-5-15-14(4-1)12-18-16(15)7-8-17-22(18)24-27-19-9-11-25-13-21(19)28(24)20-6-3-10-26-23(17)20/h1-11,13H,12H2
• InChIKey: WQWXYKWCHJXYFH-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 3,7,10,15-tetrazaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),2,4(9),5,7,11(16),12,14,18,20(28),21,23,25-tridecaene?

The IUPAC name of 3,7,10,15-tetrazaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),2,4(9),5,7,11(16),12,14,18,20(28),21,23,25-tridecaene (CID 159713710) is 3,7,10,15-tetrazaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),2,4(9),5,7,11(16),12,14,18,20(28),21,23,25-tridecaene.

What is the SMILES notation for 3,7,10,15-tetrazaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),2,4(9),5,7,11(16),12,14,18,20(28),21,23,25-tridecaene?

The canonical SMILES for 3,7,10,15-tetrazaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),2,4(9),5,7,11(16),12,14,18,20(28),21,23,25-tridecaene is c1ccc2c(c1)Cc1c-2ccc2c3ncccc3n3c4cnccc4nc3c12.

What is the InChIKey of 3,7,10,15-tetrazaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),2,4(9),5,7,11(16),12,14,18,20(28),21,23,25-tridecaene?

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

What are the key properties of 3,7,10,15-tetrazaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),2,4(9),5,7,11(16),12,14,18,20(28),21,23,25-tridecaene?

3,7,10,15-tetrazaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),2,4(9),5,7,11(16),12,14,18,20(28),21,23,25-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 3,7,10,15-tetrazaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),2,4(9),5,7,11(16),12,14,18,20(28),21,23,25-tridecaene is sourced from PubChem (CID 159713710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).