2-[6-(2-methylpropyl)-1-naphthalen-1-yl-4-[3-(5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-5-[3-(2-methylpropyl)phenyl]phenol

C51H51N3OSi — CID 140832348

About 2-[6-(2-methylpropyl)-1-naphthalen-1-yl-4-[3-(5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-5-[3-(2-methylpropyl)phenyl]phenol

2-[6-(2-methylpropyl)-1-naphthalen-1-yl-4-[3-(5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-5-[3-(2-methylpropyl)phenyl]phenol (PubChem CID 140832348) has the molecular formula C51H51N3OSi and a molecular weight of 750.08 g/mol. Its IUPAC name is 2-[6-(2-methylpropyl)-1-naphthalen-1-yl-4-[3-(5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-5-[3-(2-methylpropyl)phenyl]phenol.

Molecular Properties

• Compound Name: 2-[6-(2-methylpropyl)-1-naphthalen-1-yl-4-[3-(5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-5-[3-(2-methylpropyl)phenyl]phenol
• PubChem CID: 140832348
• Molecular Formula: C51H51N3OSi
• Molecular Weight: 750.08 g/mol
• Exact Mass: 749.38
• IUPAC Name: 2-[6-(2-methylpropyl)-1-naphthalen-1-yl-4-[3-(5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-5-[3-(2-methylpropyl)phenyl]phenol
• SMILES: CC(C)Cc1cccc(-c2ccc(-c3nc4c(-c5cccc(-c6ccc([Si](C)(C)C)cn6)c5)cc(CC(C)C)cc4n3-c3cccc4ccccc34)c(O)c2)c1
• InChI: InChI=1S/C51H51N3OSi/c1-33(2)25-35-13-10-16-38(27-35)39-21-23-44(49(55)31-39)51-53-50-45(40-17-11-18-41(30-40)46-24-22-42(32-52-46)56(5,6)7)28-36(26-34(3)4)29-48(50)54(51)47-20-12-15-37-14-8-9-19-43(37)47/h8-24,27-34,55H,25-26H2,1-7H3
• InChIKey: LRSSKJQOISWMRT-UHFFFAOYSA-N
• XLogP: 12.89
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	750.08
LogP ≤ 5	12.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-methylpropyl)-1-naphthalen-1-yl-4-[3-(5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-5-[3-(2-methylpropyl)phenyl]phenol?

The IUPAC name of 2-[6-(2-methylpropyl)-1-naphthalen-1-yl-4-[3-(5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-5-[3-(2-methylpropyl)phenyl]phenol (CID 140832348) is 2-[6-(2-methylpropyl)-1-naphthalen-1-yl-4-[3-(5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-5-[3-(2-methylpropyl)phenyl]phenol.

What is the SMILES notation for 2-[6-(2-methylpropyl)-1-naphthalen-1-yl-4-[3-(5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-5-[3-(2-methylpropyl)phenyl]phenol?

The canonical SMILES for 2-[6-(2-methylpropyl)-1-naphthalen-1-yl-4-[3-(5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-5-[3-(2-methylpropyl)phenyl]phenol is CC(C)Cc1cccc(-c2ccc(-c3nc4c(-c5cccc(-c6ccc([Si](C)(C)C)cn6)c5)cc(CC(C)C)cc4n3-c3cccc4ccccc34)c(O)c2)c1.

What is the InChIKey of 2-[6-(2-methylpropyl)-1-naphthalen-1-yl-4-[3-(5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-5-[3-(2-methylpropyl)phenyl]phenol?

The InChIKey is LRSSKJQOISWMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H51N3OSi/c1-33(2)25-35-13-10-16-38(27-35)39-21-23-44(49(55)31-39)51-53-50-45(40-17-11-18-41(30-40)46-24-22-42(32-52-46)56(5,6)7)28-36(26-34(3)4)29-48(50)54(51)47-20-12-15-37-14-8-9-19-43(37)47/h8-24,27-34,55H,25-26H2,1-7H3.

What are the key properties of 2-[6-(2-methylpropyl)-1-naphthalen-1-yl-4-[3-(5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-5-[3-(2-methylpropyl)phenyl]phenol?

2-[6-(2-methylpropyl)-1-naphthalen-1-yl-4-[3-(5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-5-[3-(2-methylpropyl)phenyl]phenol has a molecular weight of 750.08 g/mol, XLogP of 12.89, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(2-methylpropyl)-1-naphthalen-1-yl-4-[3-(5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-5-[3-(2-methylpropyl)phenyl]phenol is sourced from PubChem (CID 140832348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).