9-(2,3-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-4-(2,4,6-trimethylphenyl)-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene

C50H35N5O — CID 163789384

About 9-(2,3-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-4-(2,4,6-trimethylphenyl)-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene

9-(2,3-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-4-(2,4,6-trimethylphenyl)-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 163789384) has the molecular formula C50H35N5O and a molecular weight of 721.86 g/mol. Its IUPAC name is 9-(2,3-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-4-(2,4,6-trimethylphenyl)-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-(2,3-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-4-(2,4,6-trimethylphenyl)-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: 163789384
• Molecular Formula: C50H35N5O
• Molecular Weight: 721.86 g/mol
• Exact Mass: 721.28
• IUPAC Name: 9-(2,3-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-4-(2,4,6-trimethylphenyl)-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
• SMILES: Cc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5ccc6c7ccccc7n7c(-c8ccccc8)c(-c8ccccc8)nc7c6c5)cc4c3n2)c(C)c1
• InChI: InChI=1S/C50H35N5O/c1-30-25-31(2)45(32(3)26-30)42-29-54-44-19-12-24-51-47(44)39-23-21-36(28-41(39)49(54)52-42)56-35-20-22-37-38-17-10-11-18-43(38)55-48(34-15-8-5-9-16-34)46(33-13-6-4-7-14-33)53-50(55)40(37)27-35/h4-29H,1-3H3
• InChIKey: GMAOISTZTGLSLP-UHFFFAOYSA-N
• XLogP: 12.71
• TPSA: 56.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	721.86
LogP ≤ 5	12.71
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-(2,3-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-4-(2,4,6-trimethylphenyl)-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-(2,3-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-4-(2,4,6-trimethylphenyl)-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene (CID 163789384) is 9-(2,3-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-4-(2,4,6-trimethylphenyl)-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-(2,3-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-4-(2,4,6-trimethylphenyl)-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-(2,3-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-4-(2,4,6-trimethylphenyl)-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene is Cc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5ccc6c7ccccc7n7c(-c8ccccc8)c(-c8ccccc8)nc7c6c5)cc4c3n2)c(C)c1.

What is the InChIKey of 9-(2,3-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-4-(2,4,6-trimethylphenyl)-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 GMAOISTZTGLSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N5O/c1-30-25-31(2)45(32(3)26-30)42-29-54-44-19-12-24-51-47(44)39-23-21-36(28-41(39)49(54)52-42)56-35-20-22-37-38-17-10-11-18-43(38)55-48(34-15-8-5-9-16-34)46(33-13-6-4-7-14-33)53-50(55)40(37)27-35/h4-29H,1-3H3.

What are the key properties of 9-(2,3-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-4-(2,4,6-trimethylphenyl)-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene?

9-(2,3-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-4-(2,4,6-trimethylphenyl)-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 721.86 g/mol, XLogP of 12.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(2,3-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-4-(2,4,6-trimethylphenyl)-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 163789384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).