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

C71H69N3O — CID 164713333

IUPAC4-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
SMILES[2H]C([2H])(c1ccc(-n2c(-c3cc(C(C)(C)C)cc(-c4ccccc4)c3O)nc3c(-c4cc(-c5cc(-c6cccc(C(C)(C)c7ccccc7)c6)ccn5)cc(C(C)(C)C)c4)cccc32)c(-c2ccccc2)c1)C1CCCC1
InChIInChI=1S/C71H69N3O/c1-69(2,3)57-42-53(40-54(43-57)63-44-52(36-37-72-63)51-28-20-31-56(41-51)71(7,8)55-29-16-11-17-30-55)59-32-21-33-65-66(59)73-68(62-46-58(70(4,5)6)45-61(67(62)75)50-26-14-10-15-27-50)74(65)64-35-34-48(38-47-22-18-19-23-47)39-60(64)49-24-12-9-13-25-49/h9-17,20-21,24-37,39-47,75H,18-19,22-23,38H2,1-8H3/i38D2
InChIKeyLPHXJJQBMDKVIB-AXBRQFGBSA-N
MW982.37 g/mol
LogP18.78
Rot. Bonds11

About 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

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 (PubChem CID 164713333) has the molecular formula C71H69N3O and a molecular weight of 982.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID164713333
Molecular FormulaC71H69N3O
Molecular Weight982.37 g/mol
Exact Mass981.56
IUPAC Name4-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
SMILES[2H]C([2H])(c1ccc(-n2c(-c3cc(C(C)(C)C)cc(-c4ccccc4)c3O)nc3c(-c4cc(-c5cc(-c6cccc(C(C)(C)c7ccccc7)c6)ccn5)cc(C(C)(C)C)c4)cccc32)c(-c2ccccc2)c1)C1CCCC1
InChIInChI=1S/C71H69N3O/c1-69(2,3)57-42-53(40-54(43-57)63-44-52(36-37-72-63)51-28-20-31-56(41-51)71(7,8)55-29-16-11-17-30-55)59-32-21-33-65-66(59)73-68(62-46-58(70(4,5)6)45-61(67(62)75)50-26-14-10-15-27-50)74(65)64-35-34-48(38-47-22-18-19-23-47)39-60(64)49-24-12-9-13-25-49/h9-17,20-21,24-37,39-47,75H,18-19,22-23,38H2,1-8H3/i38D2
InChIKeyLPHXJJQBMDKVIB-AXBRQFGBSA-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 ≤ 500982.37
LogP ≤ 518.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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-[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-[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-[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
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[4-[cyclopentyl(dideuterio)methyl]phenyl]-2-pyridinyl]phenyl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]phenol
CID 164713246
4-tert-butyl-2-[4-[3-[4-(4-cyclohexylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]-6-phenylphenol
CID 164713629
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]phenol
CID 164713266
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-[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-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-[4-(cyclopentylmethyl)-2-phenylphenyl]benzimidazol-2-yl]phenol
CID 164713132
2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-phenyl-5-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-6-phenylphenol;platinum
CID 164713451

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]C([2H])(c1ccc(-n2c(-c3cc(C(C)(C)C)cc(-c4ccccc4)c3O)nc3c(-c4cc(-c5cc(-c6cccc(C(C)(C)c7ccccc7)c6)ccn5)cc(C(C)(C)C)c4)cccc32)c(-c2ccccc2)c1)C1CCCC1.
What is the InChIKey of 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?
The InChIKey is LPHXJJQBMDKVIB-AXBRQFGBSA-N. The full InChI is InChI=1S/C71H69N3O/c1-69(2,3)57-42-53(40-54(43-57)63-44-52(36-37-72-63)51-28-20-31-56(41-51)71(7,8)55-29-16-11-17-30-55)59-32-21-33-65-66(59)73-68(62-46-58(70(4,5)6)45-61(67(62)75)50-26-14-10-15-27-50)74(65)64-35-34-48(38-47-22-18-19-23-47)39-60(64)49-24-12-9-13-25-49/h9-17,20-21,24-37,39-47,75H,18-19,22-23,38H2,1-8H3/i38D2.
What are the key properties of 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?
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 has a molecular weight of 982.37 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-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]-6-phenylphenol is sourced from PubChem (CID 164713333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).