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

C68H59N3O — CID 153304008

IUPAC2,4-ditert-butyl-6-[4-[3-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-(2,6-diphenylphenyl)benzimidazol-2-yl]phenol
SMILESCC(C)(C)c1cc(-c2nc3c(-c4cc(-c5ccccc5)cc(-c5cc(-c6ccc(C7C=CC=CC7)cc6)ccn5)c4)cccc3n2-c2c(-c3ccccc3)cccc2-c2ccccc2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C68H59N3O/c1-67(2,3)55-43-59(65(72)60(44-55)68(4,5)6)66-70-63-56(29-20-32-62(63)71(66)64-57(49-25-15-9-16-26-49)30-19-31-58(64)50-27-17-10-18-28-50)53-39-52(46-23-13-8-14-24-46)40-54(41-53)61-42-51(37-38-69-61)48-35-33-47(34-36-48)45-21-11-7-12-22-45/h7-21,23-45,72H,22H2,1-6H3
InChIKeyIBPDVTCZFMPYHZ-UHFFFAOYSA-N
MW934.24 g/mol
LogP17.99
Rot. Bonds9

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

2,4-ditert-butyl-6-[4-[3-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-(2,6-diphenylphenyl)benzimidazol-2-yl]phenol (PubChem CID 153304008) has the molecular formula C68H59N3O and a molecular weight of 934.24 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[3-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-(2,6-diphenylphenyl)benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[4-[3-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-(2,6-diphenylphenyl)benzimidazol-2-yl]phenol
PubChem CID153304008
Molecular FormulaC68H59N3O
Molecular Weight934.24 g/mol
Exact Mass933.47
IUPAC Name2,4-ditert-butyl-6-[4-[3-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-(2,6-diphenylphenyl)benzimidazol-2-yl]phenol
SMILESCC(C)(C)c1cc(-c2nc3c(-c4cc(-c5ccccc5)cc(-c5cc(-c6ccc(C7C=CC=CC7)cc6)ccn5)c4)cccc3n2-c2c(-c3ccccc3)cccc2-c2ccccc2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C68H59N3O/c1-67(2,3)55-43-59(65(72)60(44-55)68(4,5)6)66-70-63-56(29-20-32-62(63)71(66)64-57(49-25-15-9-16-26-49)30-19-31-58(64)50-27-17-10-18-28-50)53-39-52(46-23-13-8-14-24-46)40-54(41-53)61-42-51(37-38-69-61)48-35-33-47(34-36-48)45-21-11-7-12-22-45/h7-21,23-45,72H,22H2,1-6H3
InChIKeyIBPDVTCZFMPYHZ-UHFFFAOYSA-N
XLogP17.99
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500934.24
LogP ≤ 517.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4-ditert-butyl-6-[4-[3-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-(2,6-diphenylphenyl)benzimidazol-2-yl]phenol with MolForge

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Related Compounds

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-[1-[2,6-di(propan-2-yl)phenyl]-4-[3-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 140831966
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-[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-[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-(4-propan-2-ylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
CID 167332447
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
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-[1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 153482355
2,4-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-fluorophenyl)-2-pyridinyl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
CID 164518281
4-tert-butyl-2-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-6-(1,1,1,3,3,3-hexadeuterio-2-methylpropan-2-yl)phenol
CID 163769911

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[4-[3-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-(2,6-diphenylphenyl)benzimidazol-2-yl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[4-[3-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-(2,6-diphenylphenyl)benzimidazol-2-yl]phenol (CID 153304008) is 2,4-ditert-butyl-6-[4-[3-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-(2,6-diphenylphenyl)benzimidazol-2-yl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[4-[3-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-(2,6-diphenylphenyl)benzimidazol-2-yl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[4-[3-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-(2,6-diphenylphenyl)benzimidazol-2-yl]phenol is CC(C)(C)c1cc(-c2nc3c(-c4cc(-c5ccccc5)cc(-c5cc(-c6ccc(C7C=CC=CC7)cc6)ccn5)c4)cccc3n2-c2c(-c3ccccc3)cccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butyl-6-[4-[3-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-(2,6-diphenylphenyl)benzimidazol-2-yl]phenol?
The InChIKey is IBPDVTCZFMPYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H59N3O/c1-67(2,3)55-43-59(65(72)60(44-55)68(4,5)6)66-70-63-56(29-20-32-62(63)71(66)64-57(49-25-15-9-16-26-49)30-19-31-58(64)50-27-17-10-18-28-50)53-39-52(46-23-13-8-14-24-46)40-54(41-53)61-42-51(37-38-69-61)48-35-33-47(34-36-48)45-21-11-7-12-22-45/h7-21,23-45,72H,22H2,1-6H3.
What are the key properties of 2,4-ditert-butyl-6-[4-[3-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-(2,6-diphenylphenyl)benzimidazol-2-yl]phenol?
2,4-ditert-butyl-6-[4-[3-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-(2,6-diphenylphenyl)benzimidazol-2-yl]phenol has a molecular weight of 934.24 g/mol, XLogP of 17.99, 9 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-[4-[3-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-(2,6-diphenylphenyl)benzimidazol-2-yl]phenol is sourced from PubChem (CID 153304008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).