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

C67H71N3O — CID 164701340

IUPAC2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol
SMILES[2H]C(C)(C)c1cc(-c2ccc(-n3c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)nc4c(-c5cc(-c6ccccc6)cc(-c6cc(-c7ccc(C(C)(C)C)cc7)ccn6)c5)cccc43)c(C)c2)cc(C([2H])(C)C)c1
InChIInChI=1S/C67H71N3O/c1-41(2)48-32-49(42(3)4)34-51(33-48)46-25-28-60(43(5)31-46)70-61-22-18-21-56(62(61)69-64(70)57-39-55(66(9,10)11)40-58(63(57)71)67(12,13)14)52-35-50(44-19-16-15-17-20-44)36-53(37-52)59-38-47(29-30-68-59)45-23-26-54(27-24-45)65(6,7)8/h15-42,71H,1-14H3/i41D,42D
InChIKeyVQXCZODXCUWUEW-RHDBGVRGSA-N
MW936.34 g/mol
LogP18.58
Rot. Bonds9

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

2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol (PubChem CID 164701340) has the molecular formula C67H71N3O and a molecular weight of 936.34 g/mol. Its IUPAC name is 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol.

Molecular Properties

Compound Name2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol
PubChem CID164701340
Molecular FormulaC67H71N3O
Molecular Weight936.34 g/mol
Exact Mass935.57
IUPAC Name2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol
SMILES[2H]C(C)(C)c1cc(-c2ccc(-n3c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)nc4c(-c5cc(-c6ccccc6)cc(-c6cc(-c7ccc(C(C)(C)C)cc7)ccn6)c5)cccc43)c(C)c2)cc(C([2H])(C)C)c1
InChIInChI=1S/C67H71N3O/c1-41(2)48-32-49(42(3)4)34-51(33-48)46-25-28-60(43(5)31-46)70-61-22-18-21-56(62(61)69-64(70)57-39-55(66(9,10)11)40-58(63(57)71)67(12,13)14)52-35-50(44-19-16-15-17-20-44)36-53(37-52)59-38-47(29-30-68-59)45-23-26-54(27-24-45)65(6,7)8/h15-42,71H,1-14H3/i41D,42D
InChIKeyVQXCZODXCUWUEW-RHDBGVRGSA-N
XLogP18.58
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500936.34
LogP ≤ 518.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2,4-ditert-butyl-6-[4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylphenyl]-1-[4-[3-(2-deuteriopropan-2-yl)-5-propan-2-ylphenyl]-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol
CID 153481862
2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-6-tert-butyl-4-methylphenol
CID 153482596
4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]-1-[4-[3-(2-deuteriopropan-2-yl)-5-propan-2-ylphenyl]-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-6-(1,1,1,3,3,3-hexadeuterio-2-methylpropan-2-yl)phenol
CID 163959784
2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4-tert-butyl-6-methylphenol
CID 153476311
2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-6-tert-butyl-4-methylphenol
CID 153481915
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-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]-1-[3-(2-deuteriopropan-2-yl)-5-phenylphenyl]benzimidazol-2-yl]phenol
CID 153477110
2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum
CID 164701284
2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-tert-butyl-4-methylphenol
CID 153479201
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-[3-(2-deuteriopropan-2-yl)-5-phenylphenyl]benzimidazol-2-yl]phenol
CID 153478260
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-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-tert-butyl-4-methylphenol
CID 153482665

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol?
The IUPAC name of 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol (CID 164701340) is 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol.
What is the SMILES notation for 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol?
The canonical SMILES for 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol is [2H]C(C)(C)c1cc(-c2ccc(-n3c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)nc4c(-c5cc(-c6ccccc6)cc(-c6cc(-c7ccc(C(C)(C)C)cc7)ccn6)c5)cccc43)c(C)c2)cc(C([2H])(C)C)c1.
What is the InChIKey of 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol?
The InChIKey is VQXCZODXCUWUEW-RHDBGVRGSA-N. The full InChI is InChI=1S/C67H71N3O/c1-41(2)48-32-49(42(3)4)34-51(33-48)46-25-28-60(43(5)31-46)70-61-22-18-21-56(62(61)69-64(70)57-39-55(66(9,10)11)40-58(63(57)71)67(12,13)14)52-35-50(44-19-16-15-17-20-44)36-53(37-52)59-38-47(29-30-68-59)45-23-26-54(27-24-45)65(6,7)8/h15-42,71H,1-14H3/i41D,42D.
What are the key properties of 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol?
2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol has a molecular weight of 936.34 g/mol, XLogP of 18.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol is sourced from PubChem (CID 164701340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).