5-tert-butyl-11-(5-tert-butylimidazo[1,2-f]phenanthridin-11-yl)oxyimidazo[1,2-f]phenanthridine

C38H34N4O — CID 154610273

About 5-tert-butyl-11-(5-tert-butylimidazo[1,2-f]phenanthridin-11-yl)oxyimidazo[1,2-f]phenanthridine

5-tert-butyl-11-(5-tert-butylimidazo[1,2-f]phenanthridin-11-yl)oxyimidazo[1,2-f]phenanthridine (PubChem CID 154610273) has the molecular formula C38H34N4O and a molecular weight of 562.72 g/mol. Its IUPAC name is 5-tert-butyl-11-(5-tert-butylimidazo[1,2-f]phenanthridin-11-yl)oxyimidazo[1,2-f]phenanthridine.

Molecular Properties

• Compound Name: 5-tert-butyl-11-(5-tert-butylimidazo[1,2-f]phenanthridin-11-yl)oxyimidazo[1,2-f]phenanthridine
• PubChem CID: 154610273
• Molecular Formula: C38H34N4O
• Molecular Weight: 562.72 g/mol
• Exact Mass: 562.27
• IUPAC Name: 5-tert-butyl-11-(5-tert-butylimidazo[1,2-f]phenanthridin-11-yl)oxyimidazo[1,2-f]phenanthridine
• SMILES: CC(C)(C)c1cccc2c3ccc(Oc4ccc5c(c4)c4nccn4c4c(C(C)(C)C)cccc54)cc3c3nccn3c12
• InChI: InChI=1S/C38H34N4O/c1-37(2,3)31-11-7-9-27-25-15-13-23(21-29(25)35-39-17-19-41(35)33(27)31)43-24-14-16-26-28-10-8-12-32(38(4,5)6)34(28)42-20-18-40-36(42)30(26)22-24/h7-22H,1-6H3
• InChIKey: VKHQDZUDWPRXGP-UHFFFAOYSA-N
• XLogP: 9.98
• TPSA: 43.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.72
LogP ≤ 5	9.98
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 5-tert-butyl-11-(5-tert-butylimidazo[1,2-f]phenanthridin-11-yl)oxyimidazo[1,2-f]phenanthridine?

The IUPAC name of 5-tert-butyl-11-(5-tert-butylimidazo[1,2-f]phenanthridin-11-yl)oxyimidazo[1,2-f]phenanthridine (CID 154610273) is 5-tert-butyl-11-(5-tert-butylimidazo[1,2-f]phenanthridin-11-yl)oxyimidazo[1,2-f]phenanthridine.

What is the SMILES notation for 5-tert-butyl-11-(5-tert-butylimidazo[1,2-f]phenanthridin-11-yl)oxyimidazo[1,2-f]phenanthridine?

The canonical SMILES for 5-tert-butyl-11-(5-tert-butylimidazo[1,2-f]phenanthridin-11-yl)oxyimidazo[1,2-f]phenanthridine is CC(C)(C)c1cccc2c3ccc(Oc4ccc5c(c4)c4nccn4c4c(C(C)(C)C)cccc54)cc3c3nccn3c12.

What is the InChIKey of 5-tert-butyl-11-(5-tert-butylimidazo[1,2-f]phenanthridin-11-yl)oxyimidazo[1,2-f]phenanthridine?

The InChIKey is VKHQDZUDWPRXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N4O/c1-37(2,3)31-11-7-9-27-25-15-13-23(21-29(25)35-39-17-19-41(35)33(27)31)43-24-14-16-26-28-10-8-12-32(38(4,5)6)34(28)42-20-18-40-36(42)30(26)22-24/h7-22H,1-6H3.

What are the key properties of 5-tert-butyl-11-(5-tert-butylimidazo[1,2-f]phenanthridin-11-yl)oxyimidazo[1,2-f]phenanthridine?

5-tert-butyl-11-(5-tert-butylimidazo[1,2-f]phenanthridin-11-yl)oxyimidazo[1,2-f]phenanthridine has a molecular weight of 562.72 g/mol, XLogP of 9.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-11-(5-tert-butylimidazo[1,2-f]phenanthridin-11-yl)oxyimidazo[1,2-f]phenanthridine is sourced from PubChem (CID 154610273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).