4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]-6-phenylphenol

C65H59N3O — CID 164713639

IUPAC4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]-6-phenylphenol
SMILESCC(C)(C)c1cc(-c2cc(-c3ccc(C(C)(C)c4ccccc4)cc3)ccn2)cc(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(-c4ccccc4)c2O)n3-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C65H59N3O/c1-63(2,3)51-38-47(37-48(39-51)57-40-46(35-36-66-57)43-31-33-50(34-32-43)65(7,8)49-25-16-11-17-26-49)54-28-20-30-59-60(54)67-62(68(59)58-29-19-18-27-53(58)44-21-12-9-13-22-44)56-42-52(64(4,5)6)41-55(61(56)69)45-23-14-10-15-24-45/h9-42,69H,1-8H3
InChIKeyJQMXAQCUYVZQBA-UHFFFAOYSA-N
MW898.21 g/mol
LogP17.05
Rot. Bonds9

About 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]-6-phenylphenol

4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]-6-phenylphenol (PubChem CID 164713639) has the molecular formula C65H59N3O and a molecular weight of 898.21 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]-6-phenylphenol.

Molecular Properties

Compound Name4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]-6-phenylphenol
PubChem CID164713639
Molecular FormulaC65H59N3O
Molecular Weight898.21 g/mol
Exact Mass897.47
IUPAC Name4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]-6-phenylphenol
SMILESCC(C)(C)c1cc(-c2cc(-c3ccc(C(C)(C)c4ccccc4)cc3)ccn2)cc(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(-c4ccccc4)c2O)n3-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C65H59N3O/c1-63(2,3)51-38-47(37-48(39-51)57-40-46(35-36-66-57)43-31-33-50(34-32-43)65(7,8)49-25-16-11-17-26-49)54-28-20-30-59-60(54)67-62(68(59)58-29-19-18-27-53(58)44-21-12-9-13-22-44)56-42-52(64(4,5)6)41-55(61(56)69)45-23-14-10-15-24-45/h9-42,69H,1-8H3
InChIKeyJQMXAQCUYVZQBA-UHFFFAOYSA-N
XLogP17.05
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500898.21
LogP ≤ 517.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-2-phenyl-6-[1-(2-phenylphenyl)-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
CID 164713116
4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol
CID 164713226
2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-diphenylphenol
CID 164713272
2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 140833221
4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-[4-(cyclopentylmethyl)-2-phenylphenyl]benzimidazol-2-yl]-6-phenylphenol
CID 164713176
2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[4-[4-(1,1-diphenylethyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-diphenylphenol
CID 176838641
4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-methylphenol
CID 163783547
3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol
CID 162783768
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
4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(1,1-diphenylethyl)phenyl]-2-pyridinyl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
CID 164713454
2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
CID 153476201

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]-6-phenylphenol?
The IUPAC name of 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]-6-phenylphenol (CID 164713639) is 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]-6-phenylphenol.
What is the SMILES notation for 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]-6-phenylphenol?
The canonical SMILES for 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]-6-phenylphenol is CC(C)(C)c1cc(-c2cc(-c3ccc(C(C)(C)c4ccccc4)cc3)ccn2)cc(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(-c4ccccc4)c2O)n3-c2ccccc2-c2ccccc2)c1.
What is the InChIKey of 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]-6-phenylphenol?
The InChIKey is JQMXAQCUYVZQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H59N3O/c1-63(2,3)51-38-47(37-48(39-51)57-40-46(35-36-66-57)43-31-33-50(34-32-43)65(7,8)49-25-16-11-17-26-49)54-28-20-30-59-60(54)67-62(68(59)58-29-19-18-27-53(58)44-21-12-9-13-22-44)56-42-52(64(4,5)6)41-55(61(56)69)45-23-14-10-15-24-45/h9-42,69H,1-8H3.
What are the key properties of 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]-6-phenylphenol?
4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]-6-phenylphenol has a molecular weight of 898.21 g/mol, XLogP of 17.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]-6-phenylphenol is sourced from PubChem (CID 164713639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).