2,4-ditert-butyl-6-[4-[4-(4-tert-butyl-2-pyridinyl)naphthalen-2-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol

C56H53N3O — CID 140832364

About 2,4-ditert-butyl-6-[4-[4-(4-tert-butyl-2-pyridinyl)naphthalen-2-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol

2,4-ditert-butyl-6-[4-[4-(4-tert-butyl-2-pyridinyl)naphthalen-2-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol (PubChem CID 140832364) has the molecular formula C56H53N3O and a molecular weight of 784.06 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[4-(4-tert-butyl-2-pyridinyl)naphthalen-2-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[4-[4-(4-tert-butyl-2-pyridinyl)naphthalen-2-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol
• PubChem CID: 140832364
• Molecular Formula: C56H53N3O
• Molecular Weight: 784.06 g/mol
• Exact Mass: 783.42
• IUPAC Name: 2,4-ditert-butyl-6-[4-[4-(4-tert-butyl-2-pyridinyl)naphthalen-2-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol
• SMILES: CC(C)(C)c1ccnc(-c2cc(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4-c3c(-c4ccccc4)ccc4ccccc34)cc3ccccc23)c1
• InChI: InChI=1S/C56H53N3O/c1-54(2,3)39-28-29-57-48(34-39)45-31-38(30-37-21-14-15-22-41(37)45)42-24-17-25-49-50(42)58-53(46-32-40(55(4,5)6)33-47(52(46)60)56(7,8)9)59(49)51-43-23-16-13-20-36(43)26-27-44(51)35-18-11-10-12-19-35/h10-34,60H,1-9H3
• InChIKey: SWFLSEHZVJYAST-UHFFFAOYSA-N
• XLogP: 14.99
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	784.06
LogP ≤ 5	14.99
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-[4-(4-tert-butyl-2-pyridinyl)naphthalen-2-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol?

The IUPAC name of 2,4-ditert-butyl-6-[4-[4-(4-tert-butyl-2-pyridinyl)naphthalen-2-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol (CID 140832364) is 2,4-ditert-butyl-6-[4-[4-(4-tert-butyl-2-pyridinyl)naphthalen-2-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol.

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

The canonical SMILES for 2,4-ditert-butyl-6-[4-[4-(4-tert-butyl-2-pyridinyl)naphthalen-2-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol is CC(C)(C)c1ccnc(-c2cc(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4-c3c(-c4ccccc4)ccc4ccccc34)cc3ccccc23)c1.

What is the InChIKey of 2,4-ditert-butyl-6-[4-[4-(4-tert-butyl-2-pyridinyl)naphthalen-2-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol?

The InChIKey is SWFLSEHZVJYAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H53N3O/c1-54(2,3)39-28-29-57-48(34-39)45-31-38(30-37-21-14-15-22-41(37)45)42-24-17-25-49-50(42)58-53(46-32-40(55(4,5)6)33-47(52(46)60)56(7,8)9)59(49)51-43-23-16-13-20-36(43)26-27-44(51)35-18-11-10-12-19-35/h10-34,60H,1-9H3.

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

2,4-ditert-butyl-6-[4-[4-(4-tert-butyl-2-pyridinyl)naphthalen-2-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol has a molecular weight of 784.06 g/mol, XLogP of 14.99, 5 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-[4-(4-tert-butyl-2-pyridinyl)naphthalen-2-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol is sourced from PubChem (CID 140832364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).