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

C35H21N5O — CID 154610868

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

9-(5-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene (PubChem CID 154610868) has the molecular formula C35H21N5O and a molecular weight of 527.59 g/mol. Its IUPAC name is 9-(5-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,16-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-(5-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
• PubChem CID: 154610868
• Molecular Formula: C35H21N5O
• Molecular Weight: 527.59 g/mol
• Exact Mass: 527.17
• IUPAC Name: 9-(5-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
• SMILES: c1ccc(-c2cccc3c4ccc(Oc5ccc6c7ccncc7n7ccnc7c6c5)cc4c4nccn4c23)cc1
• InChI: InChI=1S/C35H21N5O/c1-2-5-22(6-3-1)25-7-4-8-29-27-12-10-24(20-31(27)35-38-16-18-40(35)33(25)29)41-23-9-11-26-28-13-14-36-21-32(28)39-17-15-37-34(39)30(26)19-23/h1-21H
• InChIKey: RPFVDNSJSWJJEP-UHFFFAOYSA-N
• XLogP: 8.45
• TPSA: 56.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.59
LogP ≤ 5	8.45
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-(5-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,16-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-(5-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene (CID 154610868) is 9-(5-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,16-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-(5-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,16-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-(5-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene is c1ccc(-c2cccc3c4ccc(Oc5ccc6c7ccncc7n7ccnc7c6c5)cc4c4nccn4c23)cc1.

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

The InChIKey is RPFVDNSJSWJJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N5O/c1-2-5-22(6-3-1)25-7-4-8-29-27-12-10-24(20-31(27)35-38-16-18-40(35)33(25)29)41-23-9-11-26-28-13-14-36-21-32(28)39-17-15-37-34(39)30(26)19-23/h1-21H.

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

9-(5-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,16-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 527.59 g/mol, XLogP of 8.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(5-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,16-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 154610868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).