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

C71H69N3O — CID 164713176

IUPAC4-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
SMILESCC(C)(C)c1cc(-c2cc(-c3ccc(C(C)(C)c4ccccc4)cc3)ccn2)cc(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(-c4ccccc4)c2O)n3-c2ccc(CC3CCCC3)cc2-c2ccccc2)c1
InChIInChI=1S/C71H69N3O/c1-69(2,3)57-42-53(41-54(43-57)63-44-52(37-38-72-63)49-32-34-56(35-33-49)71(7,8)55-27-16-11-17-28-55)59-29-20-30-65-66(59)73-68(62-46-58(70(4,5)6)45-61(67(62)75)51-25-14-10-15-26-51)74(65)64-36-31-48(39-47-21-18-19-22-47)40-60(64)50-23-12-9-13-24-50/h9-17,20,23-38,40-47,75H,18-19,21-22,39H2,1-8H3
InChIKeyIXQPPTNSCRUVNP-UHFFFAOYSA-N
MW980.35 g/mol
LogP18.78
Rot. Bonds11

About 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

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 (PubChem CID 164713176) has the molecular formula C71H69N3O and a molecular weight of 980.35 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-[4-(cyclopentylmethyl)-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-[4-(cyclopentylmethyl)-2-phenylphenyl]benzimidazol-2-yl]-6-phenylphenol
PubChem CID164713176
Molecular FormulaC71H69N3O
Molecular Weight980.35 g/mol
Exact Mass979.54
IUPAC Name4-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
SMILESCC(C)(C)c1cc(-c2cc(-c3ccc(C(C)(C)c4ccccc4)cc3)ccn2)cc(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(-c4ccccc4)c2O)n3-c2ccc(CC3CCCC3)cc2-c2ccccc2)c1
InChIInChI=1S/C71H69N3O/c1-69(2,3)57-42-53(41-54(43-57)63-44-52(37-38-72-63)49-32-34-56(35-33-49)71(7,8)55-27-16-11-17-28-55)59-29-20-30-65-66(59)73-68(62-46-58(70(4,5)6)45-61(67(62)75)51-25-14-10-15-26-51)74(65)64-36-31-48(39-47-21-18-19-22-47)40-60(64)50-23-12-9-13-24-50/h9-17,20,23-38,40-47,75H,18-19,21-22,39H2,1-8H3
InChIKeyIXQPPTNSCRUVNP-UHFFFAOYSA-N
XLogP18.78
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500980.35
LogP ≤ 518.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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 164713393
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-[4-(cyclopentylmethyl)-2-phenylphenyl]benzimidazol-2-yl]phenol
CID 164713284
2-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-[4-(cyclopentylmethyl)-2-phenylphenyl]benzimidazol-2-yl]phenol
CID 164713132
4-tert-butyl-2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol
CID 164713154
4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]-6-phenylphenol
CID 164713333
4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(1,1-diphenylethyl)phenyl]-2-pyridinyl]phenyl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]-6-phenylphenol
CID 164713637
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-[4-[3-tert-butyl-5-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]-6-phenylphenol
CID 164713102
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
2-[4-[3-tert-butyl-5-[4-[4-[cyclopentyl(dideuterio)methyl]phenyl]-2-pyridinyl]phenyl]-1-[4-(cyclopentylmethyl)-2-phenylphenyl]benzimidazol-2-yl]phenol
CID 164713114
2-[4-[3-tert-butyl-5-[4-(4-cyclohexylphenyl)-2-pyridinyl]phenyl]-1-[4-(cyclopentylmethyl)-2-phenylphenyl]benzimidazol-2-yl]phenol
CID 164713244
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

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-[4-(cyclopentylmethyl)-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-[4-(cyclopentylmethyl)-2-phenylphenyl]benzimidazol-2-yl]-6-phenylphenol (CID 164713176) is 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.
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-[4-(cyclopentylmethyl)-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-[4-(cyclopentylmethyl)-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-c2ccc(CC3CCCC3)cc2-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-[4-(cyclopentylmethyl)-2-phenylphenyl]benzimidazol-2-yl]-6-phenylphenol?
The InChIKey is IXQPPTNSCRUVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H69N3O/c1-69(2,3)57-42-53(41-54(43-57)63-44-52(37-38-72-63)49-32-34-56(35-33-49)71(7,8)55-27-16-11-17-28-55)59-29-20-30-65-66(59)73-68(62-46-58(70(4,5)6)45-61(67(62)75)51-25-14-10-15-26-51)74(65)64-36-31-48(39-47-21-18-19-22-47)40-60(64)50-23-12-9-13-24-50/h9-17,20,23-38,40-47,75H,18-19,21-22,39H2,1-8H3.
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-[4-(cyclopentylmethyl)-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-[4-(cyclopentylmethyl)-2-phenylphenyl]benzimidazol-2-yl]-6-phenylphenol has a molecular weight of 980.35 g/mol, XLogP of 18.78, 11 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-[4-(cyclopentylmethyl)-2-phenylphenyl]benzimidazol-2-yl]-6-phenylphenol is sourced from PubChem (CID 164713176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).