11-(2-dibenzofuran-4-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzo[f][1,10]phenanthroline

C41H23N5O — CID 138463130

About 11-(2-dibenzofuran-4-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzo[f][1,10]phenanthroline

11-(2-dibenzofuran-4-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzo[f][1,10]phenanthroline (PubChem CID 138463130) has the molecular formula C41H23N5O and a molecular weight of 601.67 g/mol. Its IUPAC name is 11-(2-dibenzofuran-4-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzo[f][1,10]phenanthroline.

Molecular Properties

• Compound Name: 11-(2-dibenzofuran-4-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzo[f][1,10]phenanthroline
• PubChem CID: 138463130
• Molecular Formula: C41H23N5O
• Molecular Weight: 601.67 g/mol
• Exact Mass: 601.19
• IUPAC Name: 11-(2-dibenzofuran-4-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzo[f][1,10]phenanthroline
• SMILES: c1ccc2c(c1)nc1n(-c3ccc4c5ccccc5c5cccnc5c4n3)c3ccc(-c4cccc5c4oc4ccccc45)cc3n21
• InChI: InChI=1S/C41H23N5O/c1-2-10-27-26(9-1)29-14-8-22-42-38(29)39-30(27)19-21-37(44-39)46-34-20-18-24(23-35(34)45-33-16-5-4-15-32(33)43-41(45)46)25-12-7-13-31-28-11-3-6-17-36(28)47-40(25)31/h1-23H
• InChIKey: RIVKGJFEPHKQQQ-UHFFFAOYSA-N
• XLogP: 10.25
• TPSA: 61.15 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.67
LogP ≤ 5	10.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-(2-dibenzofuran-4-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzo[f][1,10]phenanthroline?

The IUPAC name of 11-(2-dibenzofuran-4-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzo[f][1,10]phenanthroline (CID 138463130) is 11-(2-dibenzofuran-4-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzo[f][1,10]phenanthroline.

What is the SMILES notation for 11-(2-dibenzofuran-4-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzo[f][1,10]phenanthroline?

The canonical SMILES for 11-(2-dibenzofuran-4-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzo[f][1,10]phenanthroline is c1ccc2c(c1)nc1n(-c3ccc4c5ccccc5c5cccnc5c4n3)c3ccc(-c4cccc5c4oc4ccccc45)cc3n21.

What is the InChIKey of 11-(2-dibenzofuran-4-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzo[f][1,10]phenanthroline?

The InChIKey is RIVKGJFEPHKQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H23N5O/c1-2-10-27-26(9-1)29-14-8-22-42-38(29)39-30(27)19-21-37(44-39)46-34-20-18-24(23-35(34)45-33-16-5-4-15-32(33)43-41(45)46)25-12-7-13-31-28-11-3-6-17-36(28)47-40(25)31/h1-23H.

What are the key properties of 11-(2-dibenzofuran-4-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzo[f][1,10]phenanthroline?

11-(2-dibenzofuran-4-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzo[f][1,10]phenanthroline has a molecular weight of 601.67 g/mol, XLogP of 10.25, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(2-dibenzofuran-4-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzo[f][1,10]phenanthroline is sourced from PubChem (CID 138463130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).