8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-c]pyridine

C43H28FN3O — CID 156668334

About 8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-c]pyridine

8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-c]pyridine (PubChem CID 156668334) has the molecular formula C43H28FN3O and a molecular weight of 624.73 g/mol. Its IUPAC name is 8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

• Compound Name: 8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-c]pyridine
• PubChem CID: 156668334
• Molecular Formula: C43H28FN3O
• Molecular Weight: 624.73 g/mol
• Exact Mass: 624.24
• IUPAC Name: 8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-c]pyridine
• SMILES: [2H]C([2H])([2H])c1ccc(-c2cc3c(cn2)oc2c(-c4nc5cccc(F)c5n4-c4cc(-c5ccccc5)ccc4-c4ccccc4)cccc23)cc1
• InChI: InChI=1S/C43H28FN3O/c1-27-18-20-30(21-19-27)38-25-35-33-14-8-15-34(42(33)48-40(35)26-45-38)43-46-37-17-9-16-36(44)41(37)47(43)39-24-31(28-10-4-2-5-11-28)22-23-32(39)29-12-6-3-7-13-29/h2-26H,1H3/i1D3
• InChIKey: GXEZQZJGBWSROB-FIBGUPNXSA-N
• XLogP: 11.44
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.73
LogP ≤ 5	11.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-c]pyridine?

The IUPAC name of 8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-c]pyridine (CID 156668334) is 8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-c]pyridine.

What is the SMILES notation for 8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-c]pyridine?

The canonical SMILES for 8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-c]pyridine is [2H]C([2H])([2H])c1ccc(-c2cc3c(cn2)oc2c(-c4nc5cccc(F)c5n4-c4cc(-c5ccccc5)ccc4-c4ccccc4)cccc23)cc1.

What is the InChIKey of 8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-c]pyridine?

The InChIKey is GXEZQZJGBWSROB-FIBGUPNXSA-N. The full InChI is InChI=1S/C43H28FN3O/c1-27-18-20-30(21-19-27)38-25-35-33-14-8-15-34(42(33)48-40(35)26-45-38)43-46-37-17-9-16-36(44)41(37)47(43)39-24-31(28-10-4-2-5-11-28)22-23-32(39)29-12-6-3-7-13-29/h2-26H,1H3/i1D3.

What are the key properties of 8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-c]pyridine?

8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-c]pyridine has a molecular weight of 624.73 g/mol, XLogP of 11.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 156668334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).