2-[4-tert-butyl-6-[9,11-ditert-butyl-3-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-2-yl]oxy-2-pyridinyl]-4-phenylphenol

C52H53N3O2 — CID 162494108

About 2-[4-tert-butyl-6-[9,11-ditert-butyl-3-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-2-yl]oxy-2-pyridinyl]-4-phenylphenol

2-[4-tert-butyl-6-[9,11-ditert-butyl-3-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-2-yl]oxy-2-pyridinyl]-4-phenylphenol (PubChem CID 162494108) has the molecular formula C52H53N3O2 and a molecular weight of 752.02 g/mol. Its IUPAC name is 2-[4-tert-butyl-6-[9,11-ditert-butyl-3-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-2-yl]oxy-2-pyridinyl]-4-phenylphenol.

Molecular Properties

• Compound Name: 2-[4-tert-butyl-6-[9,11-ditert-butyl-3-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-2-yl]oxy-2-pyridinyl]-4-phenylphenol
• PubChem CID: 162494108
• Molecular Formula: C52H53N3O2
• Molecular Weight: 752.02 g/mol
• Exact Mass: 751.41
• IUPAC Name: 2-[4-tert-butyl-6-[9,11-ditert-butyl-3-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-2-yl]oxy-2-pyridinyl]-4-phenylphenol
• SMILES: Cc1cccc(C)c1-c1c(Oc2cc(C(C)(C)C)cc(-c3cc(-c4ccccc4)ccc3O)n2)nc2c3cc(C(C)(C)C)cc(C(C)(C)C)c3c3ccccc3n12
• InChI: InChI=1S/C52H53N3O2/c1-31-18-17-19-32(2)45(31)47-49(54-48-39-27-35(50(3,4)5)28-40(52(9,10)11)46(39)37-22-15-16-23-42(37)55(47)48)57-44-30-36(51(6,7)8)29-41(53-44)38-26-34(24-25-43(38)56)33-20-13-12-14-21-33/h12-30,56H,1-11H3
• InChIKey: VWKAYCKILCIMJW-UHFFFAOYSA-N
• XLogP: 14.04
• TPSA: 59.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	752.02
LogP ≤ 5	14.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-tert-butyl-6-[9,11-ditert-butyl-3-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-2-yl]oxy-2-pyridinyl]-4-phenylphenol?

The IUPAC name of 2-[4-tert-butyl-6-[9,11-ditert-butyl-3-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-2-yl]oxy-2-pyridinyl]-4-phenylphenol (CID 162494108) is 2-[4-tert-butyl-6-[9,11-ditert-butyl-3-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-2-yl]oxy-2-pyridinyl]-4-phenylphenol.

What is the SMILES notation for 2-[4-tert-butyl-6-[9,11-ditert-butyl-3-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-2-yl]oxy-2-pyridinyl]-4-phenylphenol?

The canonical SMILES for 2-[4-tert-butyl-6-[9,11-ditert-butyl-3-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-2-yl]oxy-2-pyridinyl]-4-phenylphenol is Cc1cccc(C)c1-c1c(Oc2cc(C(C)(C)C)cc(-c3cc(-c4ccccc4)ccc3O)n2)nc2c3cc(C(C)(C)C)cc(C(C)(C)C)c3c3ccccc3n12.

What is the InChIKey of 2-[4-tert-butyl-6-[9,11-ditert-butyl-3-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-2-yl]oxy-2-pyridinyl]-4-phenylphenol?

The InChIKey is VWKAYCKILCIMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H53N3O2/c1-31-18-17-19-32(2)45(31)47-49(54-48-39-27-35(50(3,4)5)28-40(52(9,10)11)46(39)37-22-15-16-23-42(37)55(47)48)57-44-30-36(51(6,7)8)29-41(53-44)38-26-34(24-25-43(38)56)33-20-13-12-14-21-33/h12-30,56H,1-11H3.

What are the key properties of 2-[4-tert-butyl-6-[9,11-ditert-butyl-3-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-2-yl]oxy-2-pyridinyl]-4-phenylphenol?

2-[4-tert-butyl-6-[9,11-ditert-butyl-3-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-2-yl]oxy-2-pyridinyl]-4-phenylphenol has a molecular weight of 752.02 g/mol, XLogP of 14.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-tert-butyl-6-[9,11-ditert-butyl-3-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-2-yl]oxy-2-pyridinyl]-4-phenylphenol is sourced from PubChem (CID 162494108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).