5-(2-methylpropyl)-2-[6-(2-methylpropyl)-1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol

C51H49N3O2Si — CID 140833103

About 5-(2-methylpropyl)-2-[6-(2-methylpropyl)-1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol

5-(2-methylpropyl)-2-[6-(2-methylpropyl)-1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol (PubChem CID 140833103) has the molecular formula C51H49N3O2Si and a molecular weight of 764.06 g/mol. Its IUPAC name is 5-(2-methylpropyl)-2-[6-(2-methylpropyl)-1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol.

Molecular Properties

• Compound Name: 5-(2-methylpropyl)-2-[6-(2-methylpropyl)-1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol
• PubChem CID: 140833103
• Molecular Formula: C51H49N3O2Si
• Molecular Weight: 764.06 g/mol
• Exact Mass: 763.36
• IUPAC Name: 5-(2-methylpropyl)-2-[6-(2-methylpropyl)-1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol
• SMILES: CC(C)Cc1ccc(-c2nc3c(-c4cc(-c5ccc([Si](C)(C)C)cn5)c5oc6ccccc6c5c4)cc(CC(C)C)cc3n2-c2cccc3ccccc23)c(O)c1
• InChI: InChI=1S/C51H49N3O2Si/c1-31(2)23-33-19-21-40(47(55)27-33)51-53-49-41(25-34(24-32(3)4)26-46(49)54(51)45-17-12-14-35-13-8-9-15-38(35)45)36-28-42-39-16-10-11-18-48(39)56-50(42)43(29-36)44-22-20-37(30-52-44)57(5,6)7/h8-22,25-32,55H,23-24H2,1-7H3
• InChIKey: HLWDGPLDZMZJGD-UHFFFAOYSA-N
• XLogP: 13.12
• TPSA: 64.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	764.06
LogP ≤ 5	13.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-2-[6-(2-methylpropyl)-1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol?

The IUPAC name of 5-(2-methylpropyl)-2-[6-(2-methylpropyl)-1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol (CID 140833103) is 5-(2-methylpropyl)-2-[6-(2-methylpropyl)-1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol.

What is the SMILES notation for 5-(2-methylpropyl)-2-[6-(2-methylpropyl)-1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol?

The canonical SMILES for 5-(2-methylpropyl)-2-[6-(2-methylpropyl)-1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol is CC(C)Cc1ccc(-c2nc3c(-c4cc(-c5ccc([Si](C)(C)C)cn5)c5oc6ccccc6c5c4)cc(CC(C)C)cc3n2-c2cccc3ccccc23)c(O)c1.

What is the InChIKey of 5-(2-methylpropyl)-2-[6-(2-methylpropyl)-1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol?

The InChIKey is HLWDGPLDZMZJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H49N3O2Si/c1-31(2)23-33-19-21-40(47(55)27-33)51-53-49-41(25-34(24-32(3)4)26-46(49)54(51)45-17-12-14-35-13-8-9-15-38(35)45)36-28-42-39-16-10-11-18-48(39)56-50(42)43(29-36)44-22-20-37(30-52-44)57(5,6)7/h8-22,25-32,55H,23-24H2,1-7H3.

What are the key properties of 5-(2-methylpropyl)-2-[6-(2-methylpropyl)-1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol?

5-(2-methylpropyl)-2-[6-(2-methylpropyl)-1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol has a molecular weight of 764.06 g/mol, XLogP of 13.12, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-methylpropyl)-2-[6-(2-methylpropyl)-1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol is sourced from PubChem (CID 140833103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).