2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(9,9-dimethyl-7-phenylindeno[2,1-c]pyridin-3-yl)phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol

C67H69N3O — CID 162783692

IUPAC2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(9,9-dimethyl-7-phenylindeno[2,1-c]pyridin-3-yl)phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
SMILESCC(C)(C)c1cc(-c2cc3c(cn2)C(C)(C)c2cc(-c4ccccc4)ccc2-3)cc(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1
InChIInChI=1S/C67H69N3O/c1-63(2,3)46-29-31-58(51(36-46)42-24-19-16-20-25-42)70-59-27-21-26-49(60(59)69-62(70)53-37-48(65(7,8)9)38-55(61(53)71)66(10,11)12)44-32-45(34-47(33-44)64(4,5)6)57-39-52-50-30-28-43(41-22-17-15-18-23-41)35-54(50)67(13,14)56(52)40-68-57/h15-40,71H,1-14H3
InChIKeyYDHOBIKCCGYUGX-UHFFFAOYSA-N
MW932.31 g/mol
LogP17.96
Rot. Bonds6

About 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(9,9-dimethyl-7-phenylindeno[2,1-c]pyridin-3-yl)phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(9,9-dimethyl-7-phenylindeno[2,1-c]pyridin-3-yl)phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol (PubChem CID 162783692) has the molecular formula C67H69N3O and a molecular weight of 932.31 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(9,9-dimethyl-7-phenylindeno[2,1-c]pyridin-3-yl)phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(9,9-dimethyl-7-phenylindeno[2,1-c]pyridin-3-yl)phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
PubChem CID162783692
Molecular FormulaC67H69N3O
Molecular Weight932.31 g/mol
Exact Mass931.54
IUPAC Name2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(9,9-dimethyl-7-phenylindeno[2,1-c]pyridin-3-yl)phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
SMILESCC(C)(C)c1cc(-c2cc3c(cn2)C(C)(C)c2cc(-c4ccccc4)ccc2-3)cc(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1
InChIInChI=1S/C67H69N3O/c1-63(2,3)46-29-31-58(51(36-46)42-24-19-16-20-25-42)70-59-27-21-26-49(60(59)69-62(70)53-37-48(65(7,8)9)38-55(61(53)71)66(10,11)12)44-32-45(34-47(33-44)64(4,5)6)57-39-52-50-30-28-43(41-22-17-15-18-23-41)35-54(50)67(13,14)56(52)40-68-57/h15-40,71H,1-14H3
InChIKeyYDHOBIKCCGYUGX-UHFFFAOYSA-N
XLogP17.96
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500932.31
LogP ≤ 517.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(9,9-dimethyl-7-phenylindeno[2,1-c]pyridin-3-yl)phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol with MolForge

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Related Compounds

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-[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-[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-(5-deuterio-4-phenyl-2-pyridinyl)phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
CID 171425050
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[4-(3-methylpentan-3-yl)phenyl]-2-pyridinyl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
CID 164713104
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
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-[4-tert-butyl-2-(1,1,2,2-tetramethylacenaphthylen-4-yl)phenyl]benzimidazol-2-yl]phenol
CID 177264722
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5,5-dimethylindeno[1,2-c]pyridin-3-yl)benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
CID 162783785
2-[4-[3-[4-[3,4-bis(trideuteriomethyl)phenyl]-2-pyridinyl]-5-phenylphenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol
CID 153477054
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(6-deuterio-4-phenyl-2-pyridinyl)phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-3,5-dideuteriophenol
CID 171424947
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

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(9,9-dimethyl-7-phenylindeno[2,1-c]pyridin-3-yl)phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(9,9-dimethyl-7-phenylindeno[2,1-c]pyridin-3-yl)phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol (CID 162783692) is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(9,9-dimethyl-7-phenylindeno[2,1-c]pyridin-3-yl)phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(9,9-dimethyl-7-phenylindeno[2,1-c]pyridin-3-yl)phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(9,9-dimethyl-7-phenylindeno[2,1-c]pyridin-3-yl)phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol is CC(C)(C)c1cc(-c2cc3c(cn2)C(C)(C)c2cc(-c4ccccc4)ccc2-3)cc(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1.
What is the InChIKey of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(9,9-dimethyl-7-phenylindeno[2,1-c]pyridin-3-yl)phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol?
The InChIKey is YDHOBIKCCGYUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H69N3O/c1-63(2,3)46-29-31-58(51(36-46)42-24-19-16-20-25-42)70-59-27-21-26-49(60(59)69-62(70)53-37-48(65(7,8)9)38-55(61(53)71)66(10,11)12)44-32-45(34-47(33-44)64(4,5)6)57-39-52-50-30-28-43(41-22-17-15-18-23-41)35-54(50)67(13,14)56(52)40-68-57/h15-40,71H,1-14H3.
What are the key properties of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(9,9-dimethyl-7-phenylindeno[2,1-c]pyridin-3-yl)phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol?
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(9,9-dimethyl-7-phenylindeno[2,1-c]pyridin-3-yl)phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol has a molecular weight of 932.31 g/mol, XLogP of 17.96, 6 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-tert-butyl-5-(9,9-dimethyl-7-phenylindeno[2,1-c]pyridin-3-yl)phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol is sourced from PubChem (CID 162783692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).