2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(2-trimethylsilylpropan-2-yl)-2-pyridinyl]phenyl]-1-[4-(3,5-ditert-butylphenyl)-2-phenylphenyl]benzimidazol-2-yl]phenol

C68H83N3OSi — CID 168730847

About 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(2-trimethylsilylpropan-2-yl)-2-pyridinyl]phenyl]-1-[4-(3,5-ditert-butylphenyl)-2-phenylphenyl]benzimidazol-2-yl]phenol

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(2-trimethylsilylpropan-2-yl)-2-pyridinyl]phenyl]-1-[4-(3,5-ditert-butylphenyl)-2-phenylphenyl]benzimidazol-2-yl]phenol (PubChem CID 168730847) has the molecular formula C68H83N3OSi and a molecular weight of 986.52 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(2-trimethylsilylpropan-2-yl)-2-pyridinyl]phenyl]-1-[4-(3,5-ditert-butylphenyl)-2-phenylphenyl]benzimidazol-2-yl]phenol.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(2-trimethylsilylpropan-2-yl)-2-pyridinyl]phenyl]-1-[4-(3,5-ditert-butylphenyl)-2-phenylphenyl]benzimidazol-2-yl]phenol
• PubChem CID: 168730847
• Molecular Formula: C68H83N3OSi
• Molecular Weight: 986.52 g/mol
• Exact Mass: 985.63
• IUPAC Name: 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(2-trimethylsilylpropan-2-yl)-2-pyridinyl]phenyl]-1-[4-(3,5-ditert-butylphenyl)-2-phenylphenyl]benzimidazol-2-yl]phenol
• SMILES: CC(C)(C)c1cc(-c2cc(C(C)(C)[Si](C)(C)C)ccn2)cc(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2ccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2-c2ccccc2)c1
• InChI: InChI=1S/C68H83N3OSi/c1-63(2,3)49-36-46(33-47(37-49)57-42-48(31-32-69-57)68(16,17)73(18,19)20)53-27-24-28-59-60(53)70-62(55-40-52(66(10,11)12)41-56(61(55)72)67(13,14)15)71(59)58-30-29-44(38-54(58)43-25-22-21-23-26-43)45-34-50(64(4,5)6)39-51(35-45)65(7,8)9/h21-42,72H,1-20H3
• InChIKey: GMGZRCRNTLESKB-UHFFFAOYSA-N
• XLogP: 19.10
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	986.52
LogP ≤ 5	19.10
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 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(2-trimethylsilylpropan-2-yl)-2-pyridinyl]phenyl]-1-[4-(3,5-ditert-butylphenyl)-2-phenylphenyl]benzimidazol-2-yl]phenol?

The IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(2-trimethylsilylpropan-2-yl)-2-pyridinyl]phenyl]-1-[4-(3,5-ditert-butylphenyl)-2-phenylphenyl]benzimidazol-2-yl]phenol (CID 168730847) is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(2-trimethylsilylpropan-2-yl)-2-pyridinyl]phenyl]-1-[4-(3,5-ditert-butylphenyl)-2-phenylphenyl]benzimidazol-2-yl]phenol.

What is the SMILES notation for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(2-trimethylsilylpropan-2-yl)-2-pyridinyl]phenyl]-1-[4-(3,5-ditert-butylphenyl)-2-phenylphenyl]benzimidazol-2-yl]phenol?

The canonical SMILES for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(2-trimethylsilylpropan-2-yl)-2-pyridinyl]phenyl]-1-[4-(3,5-ditert-butylphenyl)-2-phenylphenyl]benzimidazol-2-yl]phenol is CC(C)(C)c1cc(-c2cc(C(C)(C)[Si](C)(C)C)ccn2)cc(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2ccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2-c2ccccc2)c1.

What is the InChIKey of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(2-trimethylsilylpropan-2-yl)-2-pyridinyl]phenyl]-1-[4-(3,5-ditert-butylphenyl)-2-phenylphenyl]benzimidazol-2-yl]phenol?

The InChIKey is GMGZRCRNTLESKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H83N3OSi/c1-63(2,3)49-36-46(33-47(37-49)57-42-48(31-32-69-57)68(16,17)73(18,19)20)53-27-24-28-59-60(53)70-62(55-40-52(66(10,11)12)41-56(61(55)72)67(13,14)15)71(59)58-30-29-44(38-54(58)43-25-22-21-23-26-43)45-34-50(64(4,5)6)39-51(35-45)65(7,8)9/h21-42,72H,1-20H3.

What are the key properties of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(2-trimethylsilylpropan-2-yl)-2-pyridinyl]phenyl]-1-[4-(3,5-ditert-butylphenyl)-2-phenylphenyl]benzimidazol-2-yl]phenol?

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(2-trimethylsilylpropan-2-yl)-2-pyridinyl]phenyl]-1-[4-(3,5-ditert-butylphenyl)-2-phenylphenyl]benzimidazol-2-yl]phenol has a molecular weight of 986.52 g/mol, XLogP of 19.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(2-trimethylsilylpropan-2-yl)-2-pyridinyl]phenyl]-1-[4-(3,5-ditert-butylphenyl)-2-phenylphenyl]benzimidazol-2-yl]phenol is sourced from PubChem (CID 168730847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).