3-[2,6-di(propan-2-yl)phenyl]-11-[2-(3-pyridin-2-yloxyphenyl)propan-2-yl]imidazo[1,2-f]phenanthridine

C41H39N3O — CID 140593309

About 3-[2,6-di(propan-2-yl)phenyl]-11-[2-(3-pyridin-2-yloxyphenyl)propan-2-yl]imidazo[1,2-f]phenanthridine

3-[2,6-di(propan-2-yl)phenyl]-11-[2-(3-pyridin-2-yloxyphenyl)propan-2-yl]imidazo[1,2-f]phenanthridine (PubChem CID 140593309) has the molecular formula C41H39N3O and a molecular weight of 589.78 g/mol. Its IUPAC name is 3-[2,6-di(propan-2-yl)phenyl]-11-[2-(3-pyridin-2-yloxyphenyl)propan-2-yl]imidazo[1,2-f]phenanthridine.

Molecular Properties

• Compound Name: 3-[2,6-di(propan-2-yl)phenyl]-11-[2-(3-pyridin-2-yloxyphenyl)propan-2-yl]imidazo[1,2-f]phenanthridine
• PubChem CID: 140593309
• Molecular Formula: C41H39N3O
• Molecular Weight: 589.78 g/mol
• Exact Mass: 589.31
• IUPAC Name: 3-[2,6-di(propan-2-yl)phenyl]-11-[2-(3-pyridin-2-yloxyphenyl)propan-2-yl]imidazo[1,2-f]phenanthridine
• SMILES: CC(C)c1cccc(C(C)C)c1-c1cnc2c3cc(C(C)(C)c4cccc(Oc5ccccn5)c4)ccc3c3ccccc3n12
• InChI: InChI=1S/C41H39N3O/c1-26(2)31-16-12-17-32(27(3)4)39(31)37-25-43-40-35-24-29(20-21-33(35)34-15-7-8-18-36(34)44(37)40)41(5,6)28-13-11-14-30(23-28)45-38-19-9-10-22-42-38/h7-27H,1-6H3
• InChIKey: QUYVMSLMOWMBFK-UHFFFAOYSA-N
• XLogP: 11.07
• TPSA: 39.42 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.78
LogP ≤ 5	11.07
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 3-[2,6-di(propan-2-yl)phenyl]-11-[2-(3-pyridin-2-yloxyphenyl)propan-2-yl]imidazo[1,2-f]phenanthridine?

The IUPAC name of 3-[2,6-di(propan-2-yl)phenyl]-11-[2-(3-pyridin-2-yloxyphenyl)propan-2-yl]imidazo[1,2-f]phenanthridine (CID 140593309) is 3-[2,6-di(propan-2-yl)phenyl]-11-[2-(3-pyridin-2-yloxyphenyl)propan-2-yl]imidazo[1,2-f]phenanthridine.

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

The canonical SMILES for 3-[2,6-di(propan-2-yl)phenyl]-11-[2-(3-pyridin-2-yloxyphenyl)propan-2-yl]imidazo[1,2-f]phenanthridine is CC(C)c1cccc(C(C)C)c1-c1cnc2c3cc(C(C)(C)c4cccc(Oc5ccccn5)c4)ccc3c3ccccc3n12.

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

The InChIKey is QUYVMSLMOWMBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H39N3O/c1-26(2)31-16-12-17-32(27(3)4)39(31)37-25-43-40-35-24-29(20-21-33(35)34-15-7-8-18-36(34)44(37)40)41(5,6)28-13-11-14-30(23-28)45-38-19-9-10-22-42-38/h7-27H,1-6H3.

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

3-[2,6-di(propan-2-yl)phenyl]-11-[2-(3-pyridin-2-yloxyphenyl)propan-2-yl]imidazo[1,2-f]phenanthridine has a molecular weight of 589.78 g/mol, XLogP of 11.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2,6-di(propan-2-yl)phenyl]-11-[2-(3-pyridin-2-yloxyphenyl)propan-2-yl]imidazo[1,2-f]phenanthridine is sourced from PubChem (CID 140593309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).