9-(2-phenylimidazo[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

C35H21N5O — CID 163721451

About 9-(2-phenylimidazo[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-(2-phenylimidazo[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 163721451) has the molecular formula C35H21N5O and a molecular weight of 527.59 g/mol. Its IUPAC name is 9-(2-phenylimidazo[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-(2-phenylimidazo[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: 163721451
• Molecular Formula: C35H21N5O
• Molecular Weight: 527.59 g/mol
• Exact Mass: 527.17
• IUPAC Name: 9-(2-phenylimidazo[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(-c2cn3c4ccccc4c4ccc(Oc5ccc6c(c5)c5nccn5c5cccnc65)cc4c3n2)cc1
• InChI: InChI=1S/C35H21N5O/c1-2-7-22(8-3-1)30-21-40-31-10-5-4-9-26(31)25-14-12-23(19-28(25)35(40)38-30)41-24-13-15-27-29(20-24)34-37-17-18-39(34)32-11-6-16-36-33(27)32/h1-21H
• InChIKey: VKGIODJRTMXGDU-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-(2-phenylimidazo[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-(2-phenylimidazo[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 163721451) is 9-(2-phenylimidazo[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-(2-phenylimidazo[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-(2-phenylimidazo[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(-c2cn3c4ccccc4c4ccc(Oc5ccc6c(c5)c5nccn5c5cccnc65)cc4c3n2)cc1.

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

What are the key properties of 9-(2-phenylimidazo[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-(2-phenylimidazo[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 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-(2-phenylimidazo[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 163721451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).