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

C70H69N3O — CID 164701655

IUPAC2,4-ditert-butyl-6-[1-(4-tert-butyl-2,5-diphenylphenyl)-4-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]phenol
SMILESCC(C)(C)c1ccc(-c2ccnc(-c3cc(-c4ccccc4)cc(-c4cccc5c4nc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)n5-c4cc(-c5ccccc5)c(C(C)(C)C)cc4-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C70H69N3O/c1-67(2,3)53-33-31-46(32-34-53)49-35-36-71-61(40-49)52-38-50(45-23-16-13-17-24-45)37-51(39-52)55-29-22-30-62-64(55)72-66(58-41-54(68(4,5)6)42-60(65(58)74)70(10,11)12)73(62)63-44-56(47-25-18-14-19-26-47)59(69(7,8)9)43-57(63)48-27-20-15-21-28-48/h13-44,74H,1-12H3
InChIKeySYIOOQPTTDFLKW-UHFFFAOYSA-N
MW968.34 g/mol
LogP18.99
Rot. Bonds8

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

2,4-ditert-butyl-6-[1-(4-tert-butyl-2,5-diphenylphenyl)-4-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]phenol (PubChem CID 164701655) has the molecular formula C70H69N3O and a molecular weight of 968.34 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-(4-tert-butyl-2,5-diphenylphenyl)-4-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[1-(4-tert-butyl-2,5-diphenylphenyl)-4-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]phenol
PubChem CID164701655
Molecular FormulaC70H69N3O
Molecular Weight968.34 g/mol
Exact Mass967.54
IUPAC Name2,4-ditert-butyl-6-[1-(4-tert-butyl-2,5-diphenylphenyl)-4-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]phenol
SMILESCC(C)(C)c1ccc(-c2ccnc(-c3cc(-c4ccccc4)cc(-c4cccc5c4nc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)n5-c4cc(-c5ccccc5)c(C(C)(C)C)cc4-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C70H69N3O/c1-67(2,3)53-33-31-46(32-34-53)49-35-36-71-61(40-49)52-38-50(45-23-16-13-17-24-45)37-51(39-52)55-29-22-30-62-64(55)72-66(58-41-54(68(4,5)6)42-60(65(58)74)70(10,11)12)73(62)63-44-56(47-25-18-14-19-26-47)59(69(7,8)9)43-57(63)48-27-20-15-21-28-48/h13-44,74H,1-12H3
InChIKeySYIOOQPTTDFLKW-UHFFFAOYSA-N
XLogP18.99
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500968.34
LogP ≤ 518.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-ditert-butyl-6-[1-(4-tert-butyl-2,5-diphenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
CID 153477910
2,4-ditert-butyl-6-[1-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 163981151
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
2,4-ditert-butyl-6-[4-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]benzimidazol-2-yl]phenol
CID 164701137
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-(3-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
CID 153476868
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
2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 140833221
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
2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-[3-(4-phenylphenyl)-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 140832886
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
CID 153477494
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-fluorophenyl)-2-pyridinyl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
CID 164518281
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-phenyl-5-[4-[4-phenyl-3-(trideuteriomethyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
CID 153479624

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2,5-diphenylphenyl)-4-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2,5-diphenylphenyl)-4-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]phenol (CID 164701655) is 2,4-ditert-butyl-6-[1-(4-tert-butyl-2,5-diphenylphenyl)-4-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[1-(4-tert-butyl-2,5-diphenylphenyl)-4-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[1-(4-tert-butyl-2,5-diphenylphenyl)-4-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]phenol is CC(C)(C)c1ccc(-c2ccnc(-c3cc(-c4ccccc4)cc(-c4cccc5c4nc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)n5-c4cc(-c5ccccc5)c(C(C)(C)C)cc4-c4ccccc4)c3)c2)cc1.
What is the InChIKey of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2,5-diphenylphenyl)-4-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]phenol?
The InChIKey is SYIOOQPTTDFLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H69N3O/c1-67(2,3)53-33-31-46(32-34-53)49-35-36-71-61(40-49)52-38-50(45-23-16-13-17-24-45)37-51(39-52)55-29-22-30-62-64(55)72-66(58-41-54(68(4,5)6)42-60(65(58)74)70(10,11)12)73(62)63-44-56(47-25-18-14-19-26-47)59(69(7,8)9)43-57(63)48-27-20-15-21-28-48/h13-44,74H,1-12H3.
What are the key properties of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2,5-diphenylphenyl)-4-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]phenol?
2,4-ditert-butyl-6-[1-(4-tert-butyl-2,5-diphenylphenyl)-4-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]phenol has a molecular weight of 968.34 g/mol, XLogP of 18.99, 8 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-[1-(4-tert-butyl-2,5-diphenylphenyl)-4-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]phenol is sourced from PubChem (CID 164701655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).