2-[1-phenyl-4-[4-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]dibenzofuran-2-yl]benzimidazol-2-yl]phenol

C51H37N3O2 — CID 162783143

About 2-[1-phenyl-4-[4-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]dibenzofuran-2-yl]benzimidazol-2-yl]phenol

2-[1-phenyl-4-[4-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]dibenzofuran-2-yl]benzimidazol-2-yl]phenol (PubChem CID 162783143) has the molecular formula C51H37N3O2 and a molecular weight of 723.88 g/mol. Its IUPAC name is 2-[1-phenyl-4-[4-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]dibenzofuran-2-yl]benzimidazol-2-yl]phenol.

Molecular Properties

• Compound Name: 2-[1-phenyl-4-[4-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]dibenzofuran-2-yl]benzimidazol-2-yl]phenol
• PubChem CID: 162783143
• Molecular Formula: C51H37N3O2
• Molecular Weight: 723.88 g/mol
• Exact Mass: 723.29
• IUPAC Name: 2-[1-phenyl-4-[4-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]dibenzofuran-2-yl]benzimidazol-2-yl]phenol
• SMILES: CC(C)(c1ccccc1)c1ccc(-c2ccnc(-c3cc(-c4cccc5c4nc(-c4ccccc4O)n5-c4ccccc4)cc4c3oc3ccccc34)c2)cc1
• InChI: InChI=1S/C51H37N3O2/c1-51(2,36-14-5-3-6-15-36)37-26-24-33(25-27-37)34-28-29-52-44(32-34)43-31-35(30-42-40-18-10-12-23-47(40)56-49(42)43)39-20-13-21-45-48(39)53-50(41-19-9-11-22-46(41)55)54(45)38-16-7-4-8-17-38/h3-32,55H,1-2H3
• InChIKey: YTYPCTACFMWOGZ-UHFFFAOYSA-N
• XLogP: 13.02
• TPSA: 64.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	723.88
LogP ≤ 5	13.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[1-phenyl-4-[4-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]dibenzofuran-2-yl]benzimidazol-2-yl]phenol?

The IUPAC name of 2-[1-phenyl-4-[4-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]dibenzofuran-2-yl]benzimidazol-2-yl]phenol (CID 162783143) is 2-[1-phenyl-4-[4-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]dibenzofuran-2-yl]benzimidazol-2-yl]phenol.

What is the SMILES notation for 2-[1-phenyl-4-[4-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]dibenzofuran-2-yl]benzimidazol-2-yl]phenol?

The canonical SMILES for 2-[1-phenyl-4-[4-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]dibenzofuran-2-yl]benzimidazol-2-yl]phenol is CC(C)(c1ccccc1)c1ccc(-c2ccnc(-c3cc(-c4cccc5c4nc(-c4ccccc4O)n5-c4ccccc4)cc4c3oc3ccccc34)c2)cc1.

What is the InChIKey of 2-[1-phenyl-4-[4-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]dibenzofuran-2-yl]benzimidazol-2-yl]phenol?

The InChIKey is YTYPCTACFMWOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N3O2/c1-51(2,36-14-5-3-6-15-36)37-26-24-33(25-27-37)34-28-29-52-44(32-34)43-31-35(30-42-40-18-10-12-23-47(40)56-49(42)43)39-20-13-21-45-48(39)53-50(41-19-9-11-22-46(41)55)54(45)38-16-7-4-8-17-38/h3-32,55H,1-2H3.

What are the key properties of 2-[1-phenyl-4-[4-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]dibenzofuran-2-yl]benzimidazol-2-yl]phenol?

2-[1-phenyl-4-[4-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]dibenzofuran-2-yl]benzimidazol-2-yl]phenol has a molecular weight of 723.88 g/mol, XLogP of 13.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-phenyl-4-[4-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]dibenzofuran-2-yl]benzimidazol-2-yl]phenol is sourced from PubChem (CID 162783143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).