9-(5,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,14,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene

C40H24N6O — CID 154611253

About 9-(5,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,14,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene

9-(5,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,14,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene (PubChem CID 154611253) has the molecular formula C40H24N6O and a molecular weight of 604.67 g/mol. Its IUPAC name is 9-(5,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,14,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene.

Molecular Properties

• Compound Name: 9-(5,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,14,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene
• PubChem CID: 154611253
• Molecular Formula: C40H24N6O
• Molecular Weight: 604.67 g/mol
• Exact Mass: 604.20
• IUPAC Name: 9-(5,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,14,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene
• SMILES: c1ccc(-c2ccc3c4ccc(Oc5ccc6c(c5)c5nccn5c5nccnc65)cc4c4nccn4c3c2-c2ccccc2)cc1
• InChI: InChI=1S/C40H24N6O/c1-3-7-25(8-4-1)29-15-16-32-30-13-11-27(23-33(30)38-43-19-21-45(38)37(32)35(29)26-9-5-2-6-10-26)47-28-12-14-31-34(24-28)39-44-20-22-46(39)40-36(31)41-17-18-42-40/h1-24H
• InChIKey: NWVOCZNWYXSAOI-UHFFFAOYSA-N
• XLogP: 9.51
• TPSA: 69.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.67
LogP ≤ 5	9.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(5,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,14,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene?

The IUPAC name of 9-(5,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,14,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene (CID 154611253) is 9-(5,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,14,17-tetrazatetracyclo[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 9-(5,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,14,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene?

The canonical SMILES for 9-(5,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,14,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene is c1ccc(-c2ccc3c4ccc(Oc5ccc6c(c5)c5nccn5c5nccnc65)cc4c4nccn4c3c2-c2ccccc2)cc1.

What is the InChIKey of 9-(5,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,14,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene?

The InChIKey is NWVOCZNWYXSAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N6O/c1-3-7-25(8-4-1)29-15-16-32-30-13-11-27(23-33(30)38-43-19-21-45(38)37(32)35(29)26-9-5-2-6-10-26)47-28-12-14-31-34(24-28)39-44-20-22-46(39)40-36(31)41-17-18-42-40/h1-24H.

What are the key properties of 9-(5,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,14,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene?

9-(5,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,14,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene has a molecular weight of 604.67 g/mol, XLogP of 9.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(5,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,14,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene is sourced from PubChem (CID 154611253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).