9-(3,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene

C41H25N5O — CID 154610461

About 9-(3,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene

9-(3,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene (PubChem CID 154610461) has the molecular formula C41H25N5O and a molecular weight of 603.69 g/mol. Its IUPAC name is 9-(3,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,17-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-(3,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
• PubChem CID: 154610461
• Molecular Formula: C41H25N5O
• Molecular Weight: 603.69 g/mol
• Exact Mass: 603.21
• IUPAC Name: 9-(3,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
• SMILES: c1ccc(-c2ccc3c4ccc(Oc5ccc6c7cccnc7n7ccnc7c6c5)cc4c4ncc(-c5ccccc5)n4c3c2)cc1
• InChI: InChI=1S/C41H25N5O/c1-3-8-26(9-4-1)28-13-16-33-31-17-14-30(24-36(31)41-44-25-38(46(41)37(33)22-28)27-10-5-2-6-11-27)47-29-15-18-32-34-12-7-19-42-39(34)45-21-20-43-40(45)35(32)23-29/h1-25H
• InChIKey: YRGKTFWNVKFHRD-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-(3,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,17-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-(3,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene (CID 154610461) is 9-(3,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,17-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-(3,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,17-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-(3,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene is c1ccc(-c2ccc3c4ccc(Oc5ccc6c7cccnc7n7ccnc7c6c5)cc4c4ncc(-c5ccccc5)n4c3c2)cc1.

What is the InChIKey of 9-(3,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene?

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

What are the key properties of 9-(3,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene?

9-(3,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,17-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-(3,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,17-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 154610461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).