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

C76H72N4O — CID 177093680

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

2,4-ditert-butyl-6-[1-(3,5-ditert-butylphenyl)-6-phenyl-4-[3-phenyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol (PubChem CID 177093680) has the molecular formula C76H72N4O and a molecular weight of 1057.44 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-(3,5-ditert-butylphenyl)-6-phenyl-4-[3-phenyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[1-(3,5-ditert-butylphenyl)-6-phenyl-4-[3-phenyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
• PubChem CID: 177093680
• Molecular Formula: C76H72N4O
• Molecular Weight: 1057.44 g/mol
• Exact Mass: 1056.57
• IUPAC Name: 2,4-ditert-butyl-6-[1-(3,5-ditert-butylphenyl)-6-phenyl-4-[3-phenyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
• SMILES: CC(C)(C)c1cc(-n2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc3c(-c4cc(-c5ccccc5)cc(-c5cc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)ccn5)c4)cc(-c4ccccc4)cc32)cc(C(C)(C)C)c1
• InChI: InChI=1S/C76H72N4O/c1-73(2,3)55-43-56(74(4,5)6)45-59(44-55)80-68-42-52(49-27-18-14-19-28-49)40-63(69(68)78-72(80)64-46-57(75(7,8)9)47-65(71(64)81)76(10,11)12)53-37-51(48-25-16-13-17-26-48)38-54(39-53)66-41-50(35-36-77-66)60-32-24-33-62-61-31-22-23-34-67(61)79(70(60)62)58-29-20-15-21-30-58/h13-47,81H,1-12H3
• InChIKey: OTDVHOSGVKSDPU-UHFFFAOYSA-N
• XLogP: 20.42
• TPSA: 55.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1057.44
LogP ≤ 5	20.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2,4-ditert-butyl-6-[1-(3,5-ditert-butylphenyl)-6-phenyl-4-[3-phenyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol (CID 177093680) is 2,4-ditert-butyl-6-[1-(3,5-ditert-butylphenyl)-6-phenyl-4-[3-phenyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol.

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

The canonical SMILES for 2,4-ditert-butyl-6-[1-(3,5-ditert-butylphenyl)-6-phenyl-4-[3-phenyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol is CC(C)(C)c1cc(-n2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc3c(-c4cc(-c5ccccc5)cc(-c5cc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)ccn5)c4)cc(-c4ccccc4)cc32)cc(C(C)(C)C)c1.

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

The InChIKey is OTDVHOSGVKSDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H72N4O/c1-73(2,3)55-43-56(74(4,5)6)45-59(44-55)80-68-42-52(49-27-18-14-19-28-49)40-63(69(68)78-72(80)64-46-57(75(7,8)9)47-65(71(64)81)76(10,11)12)53-37-51(48-25-16-13-17-26-48)38-54(39-53)66-41-50(35-36-77-66)60-32-24-33-62-61-31-22-23-34-67(61)79(70(60)62)58-29-20-15-21-30-58/h13-47,81H,1-12H3.

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

2,4-ditert-butyl-6-[1-(3,5-ditert-butylphenyl)-6-phenyl-4-[3-phenyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol has a molecular weight of 1057.44 g/mol, XLogP of 20.42, 8 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-[1-(3,5-ditert-butylphenyl)-6-phenyl-4-[3-phenyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol is sourced from PubChem (CID 177093680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).