9-(7,8-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene

C41H25N5O — CID 154610910

About 9-(7,8-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene

9-(7,8-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene (PubChem CID 154610910) has the molecular formula C41H25N5O and a molecular weight of 603.69 g/mol. Its IUPAC name is 9-(7,8-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene.

Molecular Properties

• Compound Name: 9-(7,8-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
• PubChem CID: 154610910
• Molecular Formula: C41H25N5O
• Molecular Weight: 603.69 g/mol
• Exact Mass: 603.21
• IUPAC Name: 9-(7,8-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
• SMILES: c1ccc(-c2ccc3c(c2-c2ccccc2)c2ccc(Oc4ccc5c(c4)c4nccn4c4cccnc54)cc2c2nccn32)cc1
• InChI: InChI=1S/C41H25N5O/c1-3-8-26(9-4-1)30-17-18-35-38(37(30)27-10-5-2-6-11-27)31-15-13-28(24-33(31)40-43-20-22-45(35)40)47-29-14-16-32-34(25-29)41-44-21-23-46(41)36-12-7-19-42-39(32)36/h1-25H
• InChIKey: NAFFPXFELDCBNM-UHFFFAOYSA-N
• XLogP: 10.12
• TPSA: 56.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.69
LogP ≤ 5	10.12
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 9-(7,8-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene?

The IUPAC name of 9-(7,8-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene (CID 154610910) is 9-(7,8-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene.

What is the SMILES notation for 9-(7,8-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene?

The canonical SMILES for 9-(7,8-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene is c1ccc(-c2ccc3c(c2-c2ccccc2)c2ccc(Oc4ccc5c(c4)c4nccn4c4cccnc54)cc2c2nccn32)cc1.

What is the InChIKey of 9-(7,8-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene?

The InChIKey is NAFFPXFELDCBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N5O/c1-3-8-26(9-4-1)30-17-18-35-38(37(30)27-10-5-2-6-11-27)31-15-13-28(24-33(31)40-43-20-22-45(35)40)47-29-14-16-32-34(25-29)41-44-21-23-46(41)36-12-7-19-42-39(32)36/h1-25H.

What are the key properties of 9-(7,8-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene?

9-(7,8-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene has a molecular weight of 603.69 g/mol, XLogP of 10.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(7,8-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene is sourced from PubChem (CID 154610910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).