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

C68H73N3O — CID 177264722

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

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-[4-tert-butyl-2-(1,1,2,2-tetramethylacenaphthylen-4-yl)phenyl]benzimidazol-2-yl]phenol (PubChem CID 177264722) has the molecular formula C68H73N3O and a molecular weight of 948.35 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-[4-tert-butyl-2-(1,1,2,2-tetramethylacenaphthylen-4-yl)phenyl]benzimidazol-2-yl]phenol.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-[4-tert-butyl-2-(1,1,2,2-tetramethylacenaphthylen-4-yl)phenyl]benzimidazol-2-yl]phenol
• PubChem CID: 177264722
• Molecular Formula: C68H73N3O
• Molecular Weight: 948.35 g/mol
• Exact Mass: 947.58
• IUPAC Name: 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-[4-tert-butyl-2-(1,1,2,2-tetramethylacenaphthylen-4-yl)phenyl]benzimidazol-2-yl]phenol
• SMILES: CC(C)(C)c1cc(-c2cc(-c3ccccc3)ccn2)cc(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2ccc(C(C)(C)C)cc2-c2cc3c4c(cccc4c2)C(C)(C)C3(C)C)c1
• InChI: InChI=1S/C68H73N3O/c1-63(2,3)47-28-29-57(51(38-47)45-32-43-24-20-26-53-59(43)54(36-45)68(15,16)67(53,13)14)71-58-27-21-25-50(60(58)70-62(71)52-39-49(65(7,8)9)40-55(61(52)72)66(10,11)12)44-33-46(35-48(34-44)64(4,5)6)56-37-42(30-31-69-56)41-22-18-17-19-23-41/h17-40,72H,1-16H3
• InChIKey: MOCWOTQXZQNSPF-UHFFFAOYSA-N
• XLogP: 18.37
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	948.35
LogP ≤ 5	18.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-[4-tert-butyl-2-(1,1,2,2-tetramethylacenaphthylen-4-yl)phenyl]benzimidazol-2-yl]phenol?

The IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-[4-tert-butyl-2-(1,1,2,2-tetramethylacenaphthylen-4-yl)phenyl]benzimidazol-2-yl]phenol (CID 177264722) is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-[4-tert-butyl-2-(1,1,2,2-tetramethylacenaphthylen-4-yl)phenyl]benzimidazol-2-yl]phenol.

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

The canonical SMILES for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-[4-tert-butyl-2-(1,1,2,2-tetramethylacenaphthylen-4-yl)phenyl]benzimidazol-2-yl]phenol is CC(C)(C)c1cc(-c2cc(-c3ccccc3)ccn2)cc(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2ccc(C(C)(C)C)cc2-c2cc3c4c(cccc4c2)C(C)(C)C3(C)C)c1.

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

The InChIKey is MOCWOTQXZQNSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H73N3O/c1-63(2,3)47-28-29-57(51(38-47)45-32-43-24-20-26-53-59(43)54(36-45)68(15,16)67(53,13)14)71-58-27-21-25-50(60(58)70-62(71)52-39-49(65(7,8)9)40-55(61(52)72)66(10,11)12)44-33-46(35-48(34-44)64(4,5)6)56-37-42(30-31-69-56)41-22-18-17-19-23-41/h17-40,72H,1-16H3.

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

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-[4-tert-butyl-2-(1,1,2,2-tetramethylacenaphthylen-4-yl)phenyl]benzimidazol-2-yl]phenol has a molecular weight of 948.35 g/mol, XLogP of 18.37, 6 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-phenyl-2-pyridinyl)phenyl]-1-[4-tert-butyl-2-(1,1,2,2-tetramethylacenaphthylen-4-yl)phenyl]benzimidazol-2-yl]phenol is sourced from PubChem (CID 177264722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).