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

C47H29N5O — CID 154610766

About 9-(3,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-3-phenyl-2,5,14-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-3-phenyl-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 154610766) has the molecular formula C47H29N5O and a molecular weight of 679.78 g/mol. Its IUPAC name is 9-(3,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-3-phenyl-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-(3,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-3-phenyl-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: 154610766
• Molecular Formula: C47H29N5O
• Molecular Weight: 679.78 g/mol
• Exact Mass: 679.24
• IUPAC Name: 9-(3,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-3-phenyl-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(-c2ccc3c4ccc(Oc5ccc6c(c5)c5ncc(-c7ccccc7)n5c5cccnc65)cc4c4ncc(-c5ccccc5)n4c3c2)cc1
• InChI: InChI=1S/C47H29N5O/c1-4-11-30(12-5-1)33-18-21-37-36-22-19-34(26-39(36)46-49-29-44(52(46)42(37)25-33)32-15-8-3-9-16-32)53-35-20-23-38-40(27-35)47-50-28-43(31-13-6-2-7-14-31)51(47)41-17-10-24-48-45(38)41/h1-29H
• InChIKey: SSFGPZCYUDPMHY-UHFFFAOYSA-N
• XLogP: 11.78
• TPSA: 56.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	679.78
LogP ≤ 5	11.78
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-3-phenyl-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-(3,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-3-phenyl-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene (CID 154610766) is 9-(3,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-3-phenyl-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-(3,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-3-phenyl-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-(3,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-3-phenyl-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(-c2ccc3c4ccc(Oc5ccc6c(c5)c5ncc(-c7ccccc7)n5c5cccnc65)cc4c4ncc(-c5ccccc5)n4c3c2)cc1.

What is the InChIKey of 9-(3,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-3-phenyl-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 SSFGPZCYUDPMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N5O/c1-4-11-30(12-5-1)33-18-21-37-36-22-19-34(26-39(36)46-49-29-44(52(46)42(37)25-33)32-15-8-3-9-16-32)53-35-20-23-38-40(27-35)47-50-28-43(31-13-6-2-7-14-31)51(47)41-17-10-24-48-45(38)41/h1-29H.

What are the key properties of 9-(3,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-3-phenyl-2,5,14-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-3-phenyl-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 679.78 g/mol, XLogP of 11.78, 5 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-3-phenyl-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 154610766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).