9-(2,3-dimethylimidazo[1,2-f]phenanthridin-11-yl)oxy-3,4-dimethyl-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene

C33H25N5O — CID 163465409

About 9-(2,3-dimethylimidazo[1,2-f]phenanthridin-11-yl)oxy-3,4-dimethyl-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene

9-(2,3-dimethylimidazo[1,2-f]phenanthridin-11-yl)oxy-3,4-dimethyl-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 163465409) has the molecular formula C33H25N5O and a molecular weight of 507.60 g/mol. Its IUPAC name is 9-(2,3-dimethylimidazo[1,2-f]phenanthridin-11-yl)oxy-3,4-dimethyl-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-(2,3-dimethylimidazo[1,2-f]phenanthridin-11-yl)oxy-3,4-dimethyl-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: 163465409
• Molecular Formula: C33H25N5O
• Molecular Weight: 507.60 g/mol
• Exact Mass: 507.21
• IUPAC Name: 9-(2,3-dimethylimidazo[1,2-f]phenanthridin-11-yl)oxy-3,4-dimethyl-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
• SMILES: Cc1nc2c3cc(Oc4ccc5c6cccnc6n6c(C)c(C)nc6c5c4)ccc3c3ccccc3n2c1C
• InChI: InChI=1S/C33H25N5O/c1-18-20(3)37-30-10-6-5-8-26(30)24-13-11-22(16-28(24)32(37)35-18)39-23-12-14-25-27-9-7-15-34-31(27)38-21(4)19(2)36-33(38)29(25)17-23/h5-17H,1-4H3
• InChIKey: BITRLEHWBKHPMZ-UHFFFAOYSA-N
• XLogP: 8.02
• TPSA: 56.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.60
LogP ≤ 5	8.02
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-dimethylimidazo[1,2-f]phenanthridin-11-yl)oxy-3,4-dimethyl-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-(2,3-dimethylimidazo[1,2-f]phenanthridin-11-yl)oxy-3,4-dimethyl-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene (CID 163465409) is 9-(2,3-dimethylimidazo[1,2-f]phenanthridin-11-yl)oxy-3,4-dimethyl-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-(2,3-dimethylimidazo[1,2-f]phenanthridin-11-yl)oxy-3,4-dimethyl-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-(2,3-dimethylimidazo[1,2-f]phenanthridin-11-yl)oxy-3,4-dimethyl-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene is Cc1nc2c3cc(Oc4ccc5c6cccnc6n6c(C)c(C)nc6c5c4)ccc3c3ccccc3n2c1C.

What is the InChIKey of 9-(2,3-dimethylimidazo[1,2-f]phenanthridin-11-yl)oxy-3,4-dimethyl-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 BITRLEHWBKHPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N5O/c1-18-20(3)37-30-10-6-5-8-26(30)24-13-11-22(16-28(24)32(37)35-18)39-23-12-14-25-27-9-7-15-34-31(27)38-21(4)19(2)36-33(38)29(25)17-23/h5-17H,1-4H3.

What are the key properties of 9-(2,3-dimethylimidazo[1,2-f]phenanthridin-11-yl)oxy-3,4-dimethyl-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene?

9-(2,3-dimethylimidazo[1,2-f]phenanthridin-11-yl)oxy-3,4-dimethyl-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 507.60 g/mol, XLogP of 8.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(2,3-dimethylimidazo[1,2-f]phenanthridin-11-yl)oxy-3,4-dimethyl-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 163465409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).