2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol

C73H83N3O — CID 153479481

IUPAC2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol
SMILES[2H]C([2H])([2H])c1cc(-c2c(C(C)(CC)CC)cccc2C(C)(CC)CC)ccc1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3cc(-c4cc(-c5ccc(-c6ccccc6)cc5)ccn4)cc(C(C)(C)C)c3)cccc21
InChIInChI=1S/C73H83N3O/c1-17-72(15,18-2)59-29-25-30-60(73(16,19-3)20-4)65(59)52-36-37-63(47(5)40-52)76-64-31-24-28-57(66(64)75-68(76)58-45-56(70(9,10)11)46-61(67(58)77)71(12,13)14)53-41-54(43-55(42-53)69(6,7)8)62-44-51(38-39-74-62)50-34-32-49(33-35-50)48-26-22-21-23-27-48/h21-46,77H,17-20H2,1-16H3/i5D3
InChIKeyUEPOGSWAMSMWAQ-VPYROQPTSA-N
MW1021.51 g/mol
LogP20.48
Rot. Bonds14

About 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol

2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol (PubChem CID 153479481) has the molecular formula C73H83N3O and a molecular weight of 1021.51 g/mol. Its IUPAC name is 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol.

Molecular Properties

Compound Name2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol
PubChem CID153479481
Molecular FormulaC73H83N3O
Molecular Weight1021.51 g/mol
Exact Mass1020.67
IUPAC Name2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol
SMILES[2H]C([2H])([2H])c1cc(-c2c(C(C)(CC)CC)cccc2C(C)(CC)CC)ccc1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3cc(-c4cc(-c5ccc(-c6ccccc6)cc5)ccn4)cc(C(C)(C)C)c3)cccc21
InChIInChI=1S/C73H83N3O/c1-17-72(15,18-2)59-29-25-30-60(73(16,19-3)20-4)65(59)52-36-37-63(47(5)40-52)76-64-31-24-28-57(66(64)75-68(76)58-45-56(70(9,10)11)46-61(67(58)77)71(12,13)14)53-41-54(43-55(42-53)69(6,7)8)62-44-51(38-39-74-62)50-34-32-49(33-35-50)48-26-22-21-23-27-48/h21-46,77H,17-20H2,1-16H3/i5D3
InChIKeyUEPOGSWAMSMWAQ-VPYROQPTSA-N
XLogP20.48
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001021.51
LogP ≤ 520.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol with MolForge

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Related Compounds

2,4-ditert-butyl-6-[1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 153482355
2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
CID 153480261
2-[4-[3-[4-[3,5-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-tert-butylphenyl]-1-[4-phenyl-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol
CID 153477826
2-[4-[3-tert-butyl-5-[4-[3-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-5-phenylphenyl]-2-pyridinyl]phenyl]-1-[4-phenyl-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol
CID 153479469
2-[1-[4-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol
CID 153478518
2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
CID 153478010
2,4-ditert-butyl-6-[1-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
CID 167331817
2-[4-[3-tert-butyl-5-[4-[2-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-5-phenylphenyl]-2-pyridinyl]phenyl]-1-[4-phenyl-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol
CID 153479153
2,4-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-[4-[3-[4-[3-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylphenyl]-1-[4-phenyl-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol
CID 153479672
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[4-(3-methylpentan-3-yl)phenyl]-2-pyridinyl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
CID 164713104
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]-1-[4-[2-(2-deuteriopropan-2-yl)-6-propan-2-ylphenyl]-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum
CID 176722900
2-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]-1-[4-(2-tert-butyl-6-phenylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol
CID 153479287

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol?
The IUPAC name of 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol (CID 153479481) is 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol.
What is the SMILES notation for 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol?
The canonical SMILES for 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol is [2H]C([2H])([2H])c1cc(-c2c(C(C)(CC)CC)cccc2C(C)(CC)CC)ccc1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3cc(-c4cc(-c5ccc(-c6ccccc6)cc5)ccn4)cc(C(C)(C)C)c3)cccc21.
What is the InChIKey of 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol?
The InChIKey is UEPOGSWAMSMWAQ-VPYROQPTSA-N. The full InChI is InChI=1S/C73H83N3O/c1-17-72(15,18-2)59-29-25-30-60(73(16,19-3)20-4)65(59)52-36-37-63(47(5)40-52)76-64-31-24-28-57(66(64)75-68(76)58-45-56(70(9,10)11)46-61(67(58)77)71(12,13)14)53-41-54(43-55(42-53)69(6,7)8)62-44-51(38-39-74-62)50-34-32-49(33-35-50)48-26-22-21-23-27-48/h21-46,77H,17-20H2,1-16H3/i5D3.
What are the key properties of 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol?
2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol has a molecular weight of 1021.51 g/mol, XLogP of 20.48, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol is sourced from PubChem (CID 153479481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).