2,4-ditert-butyl-6-[6-tert-butyl-4-[3-tert-butyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-1-(5-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol

C74H76N4O — CID 177094087

About 2,4-ditert-butyl-6-[6-tert-butyl-4-[3-tert-butyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-1-(5-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol

2,4-ditert-butyl-6-[6-tert-butyl-4-[3-tert-butyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-1-(5-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol (PubChem CID 177094087) has the molecular formula C74H76N4O and a molecular weight of 1037.45 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[6-tert-butyl-4-[3-tert-butyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-1-(5-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[6-tert-butyl-4-[3-tert-butyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-1-(5-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
• PubChem CID: 177094087
• Molecular Formula: C74H76N4O
• Molecular Weight: 1037.45 g/mol
• Exact Mass: 1036.60
• IUPAC Name: 2,4-ditert-butyl-6-[6-tert-butyl-4-[3-tert-butyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-1-(5-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
• SMILES: CC(C)(C)c1cc(-c2cc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)ccn2)cc(-c2cc(C(C)(C)C)cc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2cc(C(C)(C)C)ccc2-c2ccccc2)c1
• InChI: InChI=1S/C74H76N4O/c1-70(2,3)50-33-34-55(46-25-18-16-19-26-46)64(44-50)78-65-45-53(73(10,11)12)41-59(66(65)76-69(78)60-42-52(72(7,8)9)43-61(68(60)79)74(13,14)15)48-37-49(39-51(38-48)71(4,5)6)62-40-47(35-36-75-62)56-30-24-31-58-57-29-22-23-32-63(57)77(67(56)58)54-27-20-17-21-28-54/h16-45,79H,1-15H3
• InChIKey: RZKINULVRBVJEH-UHFFFAOYSA-N
• XLogP: 20.05
• TPSA: 55.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1037.45
LogP ≤ 5	20.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[6-tert-butyl-4-[3-tert-butyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-1-(5-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol?

The IUPAC name of 2,4-ditert-butyl-6-[6-tert-butyl-4-[3-tert-butyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-1-(5-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol (CID 177094087) is 2,4-ditert-butyl-6-[6-tert-butyl-4-[3-tert-butyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-1-(5-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol.

What is the SMILES notation for 2,4-ditert-butyl-6-[6-tert-butyl-4-[3-tert-butyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-1-(5-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol?

The canonical SMILES for 2,4-ditert-butyl-6-[6-tert-butyl-4-[3-tert-butyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-1-(5-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol is CC(C)(C)c1cc(-c2cc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)ccn2)cc(-c2cc(C(C)(C)C)cc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2cc(C(C)(C)C)ccc2-c2ccccc2)c1.

What is the InChIKey of 2,4-ditert-butyl-6-[6-tert-butyl-4-[3-tert-butyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-1-(5-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol?

The InChIKey is RZKINULVRBVJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H76N4O/c1-70(2,3)50-33-34-55(46-25-18-16-19-26-46)64(44-50)78-65-45-53(73(10,11)12)41-59(66(65)76-69(78)60-42-52(72(7,8)9)43-61(68(60)79)74(13,14)15)48-37-49(39-51(38-48)71(4,5)6)62-40-47(35-36-75-62)56-30-24-31-58-57-29-22-23-32-63(57)77(67(56)58)54-27-20-17-21-28-54/h16-45,79H,1-15H3.

What are the key properties of 2,4-ditert-butyl-6-[6-tert-butyl-4-[3-tert-butyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-1-(5-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol?

2,4-ditert-butyl-6-[6-tert-butyl-4-[3-tert-butyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-1-(5-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol has a molecular weight of 1037.45 g/mol, XLogP of 20.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[6-tert-butyl-4-[3-tert-butyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-1-(5-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol is sourced from PubChem (CID 177094087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).