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

C62H69N3O — CID 153476191

IUPAC2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]phenyl]-1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]benzimidazol-2-yl]phenol
SMILES[2H]C(C)(C)c1ccc(-n2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc3c(-c4cc(-c5cc(-c6ccc(C)cc6)ccn5)cc(C(C)(C)C)c4)cccc32)c(-c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C62H69N3O/c1-38(2)42-25-28-54(50(34-42)41-23-26-46(27-24-41)59(4,5)6)65-55-18-16-17-49(56(55)64-58(65)51-36-48(61(10,11)12)37-52(57(51)66)62(13,14)15)44-31-45(33-47(32-44)60(7,8)9)53-35-43(29-30-63-53)40-21-19-39(3)20-22-40/h16-38,66H,1-15H3/i38D
InChIKeySCWVFTBEDDFDEY-WKBHQJRHSA-N
MW873.26 g/mol
LogP17.08
Rot. Bonds7

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

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]phenyl]-1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]benzimidazol-2-yl]phenol (PubChem CID 153476191) has the molecular formula C62H69N3O and a molecular weight of 873.26 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]phenyl]-1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]phenyl]-1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]benzimidazol-2-yl]phenol
PubChem CID153476191
Molecular FormulaC62H69N3O
Molecular Weight873.26 g/mol
Exact Mass872.55
IUPAC Name2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]phenyl]-1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]benzimidazol-2-yl]phenol
SMILES[2H]C(C)(C)c1ccc(-n2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc3c(-c4cc(-c5cc(-c6ccc(C)cc6)ccn5)cc(C(C)(C)C)c4)cccc32)c(-c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C62H69N3O/c1-38(2)42-25-28-54(50(34-42)41-23-26-46(27-24-41)59(4,5)6)65-55-18-16-17-49(56(55)64-58(65)51-36-48(61(10,11)12)37-52(57(51)66)62(13,14)15)44-31-45(33-47(32-44)60(7,8)9)53-35-43(29-30-63-53)40-21-19-39(3)20-22-40/h16-38,66H,1-15H3/i38D
InChIKeySCWVFTBEDDFDEY-WKBHQJRHSA-N
XLogP17.08
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.26
LogP ≤ 517.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]phenyl]-1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]benzimidazol-2-yl]phenol with MolForge

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Related Compounds

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-(4-methyl-2-phenylphenyl)benzimidazol-2-yl]phenol
CID 153477662
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]phenyl]-1-[2-(4-tert-butylphenyl)-4-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol
CID 153477257
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-[4-(2-methylbutan-2-yl)-2-phenylphenyl]benzimidazol-2-yl]phenol
CID 153478380
2,4-ditert-butyl-6-[1-[2-(4-tert-butylphenyl)-4-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
CID 153477102
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-(4-tert-butyl-2,5-diphenylphenyl)benzimidazol-2-yl]phenol
CID 153479539
4-tert-butyl-2-[1-[4-(2-deuteriopropan-2-yl)-2-phenylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-methylphenol
CID 153476712
2-[1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-4,6-dimethylphenol
CID 153479459
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol
CID 153480122
2-[4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylphenyl]-1-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-phenylphenyl]benzimidazol-2-yl]-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol
CID 153481024
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]benzimidazol-2-yl]phenol
CID 153481232
4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-6-(1,1,1,3,3,3-hexadeuterio-2-methylpropan-2-yl)phenol
CID 163981929
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-(2,4-diphenylphenyl)benzimidazol-2-yl]phenol
CID 140833244

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]phenyl]-1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]benzimidazol-2-yl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]phenyl]-1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]benzimidazol-2-yl]phenol (CID 153476191) is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]phenyl]-1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]benzimidazol-2-yl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]phenyl]-1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]benzimidazol-2-yl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]phenyl]-1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]benzimidazol-2-yl]phenol is [2H]C(C)(C)c1ccc(-n2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc3c(-c4cc(-c5cc(-c6ccc(C)cc6)ccn5)cc(C(C)(C)C)c4)cccc32)c(-c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]phenyl]-1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]benzimidazol-2-yl]phenol?
The InChIKey is SCWVFTBEDDFDEY-WKBHQJRHSA-N. The full InChI is InChI=1S/C62H69N3O/c1-38(2)42-25-28-54(50(34-42)41-23-26-46(27-24-41)59(4,5)6)65-55-18-16-17-49(56(55)64-58(65)51-36-48(61(10,11)12)37-52(57(51)66)62(13,14)15)44-31-45(33-47(32-44)60(7,8)9)53-35-43(29-30-63-53)40-21-19-39(3)20-22-40/h16-38,66H,1-15H3/i38D.
What are the key properties of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]phenyl]-1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]benzimidazol-2-yl]phenol?
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]phenyl]-1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]benzimidazol-2-yl]phenol has a molecular weight of 873.26 g/mol, XLogP of 17.08, 7 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-(4-methylphenyl)-2-pyridinyl]phenyl]-1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]benzimidazol-2-yl]phenol is sourced from PubChem (CID 153476191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).