9-(2-methylimidazo[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

C30H19N5O — CID 163424071

About 9-(2-methylimidazo[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-methylimidazo[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 163424071) has the molecular formula C30H19N5O and a molecular weight of 465.52 g/mol. Its IUPAC name is 9-(2-methylimidazo[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-methylimidazo[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: 163424071
• Molecular Formula: C30H19N5O
• Molecular Weight: 465.52 g/mol
• Exact Mass: 465.16
• IUPAC Name: 9-(2-methylimidazo[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: Cc1cn2c3ccccc3c3ccc(Oc4ccc5c(c4)c4nccn4c4cccnc54)cc3c2n1
• InChI: InChI=1S/C30H19N5O/c1-18-17-35-26-6-3-2-5-22(26)21-10-8-19(15-24(21)30(35)33-18)36-20-9-11-23-25(16-20)29-32-13-14-34(29)27-7-4-12-31-28(23)27/h2-17H,1H3
• InChIKey: VCZIOBMSXQWYHT-UHFFFAOYSA-N
• XLogP: 7.09
• TPSA: 56.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.52
LogP ≤ 5	7.09
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-methylimidazo[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-methylimidazo[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 163424071) is 9-(2-methylimidazo[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-methylimidazo[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-methylimidazo[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 Cc1cn2c3ccccc3c3ccc(Oc4ccc5c(c4)c4nccn4c4cccnc54)cc3c2n1.

What is the InChIKey of 9-(2-methylimidazo[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 VCZIOBMSXQWYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N5O/c1-18-17-35-26-6-3-2-5-22(26)21-10-8-19(15-24(21)30(35)33-18)36-20-9-11-23-25(16-20)29-32-13-14-34(29)27-7-4-12-31-28(23)27/h2-17H,1H3.

What are the key properties of 9-(2-methylimidazo[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-methylimidazo[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 465.52 g/mol, XLogP of 7.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(2-methylimidazo[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 163424071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).