11-(4-methyl-3-pyridin-2-ylphenoxy)imidazo[1,2-f]phenanthridine

C27H19N3O — CID 142562406

About 11-(4-methyl-3-pyridin-2-ylphenoxy)imidazo[1,2-f]phenanthridine

11-(4-methyl-3-pyridin-2-ylphenoxy)imidazo[1,2-f]phenanthridine (PubChem CID 142562406) has the molecular formula C27H19N3O and a molecular weight of 401.47 g/mol. Its IUPAC name is 11-(4-methyl-3-pyridin-2-ylphenoxy)imidazo[1,2-f]phenanthridine.

Molecular Properties

• Compound Name: 11-(4-methyl-3-pyridin-2-ylphenoxy)imidazo[1,2-f]phenanthridine
• PubChem CID: 142562406
• Molecular Formula: C27H19N3O
• Molecular Weight: 401.47 g/mol
• Exact Mass: 401.15
• IUPAC Name: 11-(4-methyl-3-pyridin-2-ylphenoxy)imidazo[1,2-f]phenanthridine
• SMILES: Cc1ccc(Oc2ccc3c4ccccc4n4ccnc4c3c2)cc1-c1ccccn1
• InChI: InChI=1S/C27H19N3O/c1-18-9-10-19(16-23(18)25-7-4-5-13-28-25)31-20-11-12-21-22-6-2-3-8-26(22)30-15-14-29-27(30)24(21)17-20/h2-17H,1H3
• InChIKey: UYCRLZRCYCYAJY-UHFFFAOYSA-N
• XLogP: 6.80
• TPSA: 39.42 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	401.47
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 11-(4-methyl-3-pyridin-2-ylphenoxy)imidazo[1,2-f]phenanthridine?

The IUPAC name of 11-(4-methyl-3-pyridin-2-ylphenoxy)imidazo[1,2-f]phenanthridine (CID 142562406) is 11-(4-methyl-3-pyridin-2-ylphenoxy)imidazo[1,2-f]phenanthridine.

What is the SMILES notation for 11-(4-methyl-3-pyridin-2-ylphenoxy)imidazo[1,2-f]phenanthridine?

The canonical SMILES for 11-(4-methyl-3-pyridin-2-ylphenoxy)imidazo[1,2-f]phenanthridine is Cc1ccc(Oc2ccc3c4ccccc4n4ccnc4c3c2)cc1-c1ccccn1.

What is the InChIKey of 11-(4-methyl-3-pyridin-2-ylphenoxy)imidazo[1,2-f]phenanthridine?

The InChIKey is UYCRLZRCYCYAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3O/c1-18-9-10-19(16-23(18)25-7-4-5-13-28-25)31-20-11-12-21-22-6-2-3-8-26(22)30-15-14-29-27(30)24(21)17-20/h2-17H,1H3.

What are the key properties of 11-(4-methyl-3-pyridin-2-ylphenoxy)imidazo[1,2-f]phenanthridine?

11-(4-methyl-3-pyridin-2-ylphenoxy)imidazo[1,2-f]phenanthridine has a molecular weight of 401.47 g/mol, XLogP of 6.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(4-methyl-3-pyridin-2-ylphenoxy)imidazo[1,2-f]phenanthridine is sourced from PubChem (CID 142562406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).