3-[2,6-di(propan-2-yl)phenyl]-11-[(6-phenoxy-2-pyridinyl)oxy]imidazo[1,2-f]phenanthridine

C38H33N3O2 — CID 140593578

About 3-[2,6-di(propan-2-yl)phenyl]-11-[(6-phenoxy-2-pyridinyl)oxy]imidazo[1,2-f]phenanthridine

3-[2,6-di(propan-2-yl)phenyl]-11-[(6-phenoxy-2-pyridinyl)oxy]imidazo[1,2-f]phenanthridine (PubChem CID 140593578) has the molecular formula C38H33N3O2 and a molecular weight of 563.70 g/mol. Its IUPAC name is 3-[2,6-di(propan-2-yl)phenyl]-11-[(6-phenoxy-2-pyridinyl)oxy]imidazo[1,2-f]phenanthridine.

Molecular Properties

• Compound Name: 3-[2,6-di(propan-2-yl)phenyl]-11-[(6-phenoxy-2-pyridinyl)oxy]imidazo[1,2-f]phenanthridine
• PubChem CID: 140593578
• Molecular Formula: C38H33N3O2
• Molecular Weight: 563.70 g/mol
• Exact Mass: 563.26
• IUPAC Name: 3-[2,6-di(propan-2-yl)phenyl]-11-[(6-phenoxy-2-pyridinyl)oxy]imidazo[1,2-f]phenanthridine
• SMILES: CC(C)c1cccc(C(C)C)c1-c1cnc2c3cc(Oc4cccc(Oc5ccccc5)n4)ccc3c3ccccc3n12
• InChI: InChI=1S/C38H33N3O2/c1-24(2)28-15-10-16-29(25(3)4)37(28)34-23-39-38-32-22-27(20-21-30(32)31-14-8-9-17-33(31)41(34)38)43-36-19-11-18-35(40-36)42-26-12-6-5-7-13-26/h5-25H,1-4H3
• InChIKey: CUPPFDLDZUWIRG-UHFFFAOYSA-N
• XLogP: 10.53
• TPSA: 48.65 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.70
LogP ≤ 5	10.53
H-Bond Donors ≤ 5	0
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 3-[2,6-di(propan-2-yl)phenyl]-11-[(6-phenoxy-2-pyridinyl)oxy]imidazo[1,2-f]phenanthridine?

The IUPAC name of 3-[2,6-di(propan-2-yl)phenyl]-11-[(6-phenoxy-2-pyridinyl)oxy]imidazo[1,2-f]phenanthridine (CID 140593578) is 3-[2,6-di(propan-2-yl)phenyl]-11-[(6-phenoxy-2-pyridinyl)oxy]imidazo[1,2-f]phenanthridine.

What is the SMILES notation for 3-[2,6-di(propan-2-yl)phenyl]-11-[(6-phenoxy-2-pyridinyl)oxy]imidazo[1,2-f]phenanthridine?

The canonical SMILES for 3-[2,6-di(propan-2-yl)phenyl]-11-[(6-phenoxy-2-pyridinyl)oxy]imidazo[1,2-f]phenanthridine is CC(C)c1cccc(C(C)C)c1-c1cnc2c3cc(Oc4cccc(Oc5ccccc5)n4)ccc3c3ccccc3n12.

What is the InChIKey of 3-[2,6-di(propan-2-yl)phenyl]-11-[(6-phenoxy-2-pyridinyl)oxy]imidazo[1,2-f]phenanthridine?

The InChIKey is CUPPFDLDZUWIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H33N3O2/c1-24(2)28-15-10-16-29(25(3)4)37(28)34-23-39-38-32-22-27(20-21-30(32)31-14-8-9-17-33(31)41(34)38)43-36-19-11-18-35(40-36)42-26-12-6-5-7-13-26/h5-25H,1-4H3.

What are the key properties of 3-[2,6-di(propan-2-yl)phenyl]-11-[(6-phenoxy-2-pyridinyl)oxy]imidazo[1,2-f]phenanthridine?

3-[2,6-di(propan-2-yl)phenyl]-11-[(6-phenoxy-2-pyridinyl)oxy]imidazo[1,2-f]phenanthridine has a molecular weight of 563.70 g/mol, XLogP of 10.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2,6-di(propan-2-yl)phenyl]-11-[(6-phenoxy-2-pyridinyl)oxy]imidazo[1,2-f]phenanthridine is sourced from PubChem (CID 140593578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).