2-[4-[3-(3,5-ditert-butylphenyl)-5-(5-trimethylsilyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol

C47H49N3OSi — CID 140833081

IUPAC2-[4-[3-(3,5-ditert-butylphenyl)-5-(5-trimethylsilyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
SMILESCC(C)(C)c1cc(-c2cc(-c3ccc([Si](C)(C)C)cn3)cc(-c3cccc4c3nc(-c3ccccc3O)n4-c3ccccc3)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C47H49N3OSi/c1-46(2,3)35-27-32(28-36(29-35)47(4,5)6)31-24-33(26-34(25-31)41-23-22-38(30-48-41)52(7,8)9)39-19-15-20-42-44(39)49-45(40-18-13-14-21-43(40)51)50(42)37-16-11-10-12-17-37/h10-30,51H,1-9H3
InChIKeyOPQZHRGBPSNNAR-UHFFFAOYSA-N
MW700.02 g/mol
LogP11.93
Rot. Bonds6

About 2-[4-[3-(3,5-ditert-butylphenyl)-5-(5-trimethylsilyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol

2-[4-[3-(3,5-ditert-butylphenyl)-5-(5-trimethylsilyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol (PubChem CID 140833081) has the molecular formula C47H49N3OSi and a molecular weight of 700.02 g/mol. Its IUPAC name is 2-[4-[3-(3,5-ditert-butylphenyl)-5-(5-trimethylsilyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[3-(3,5-ditert-butylphenyl)-5-(5-trimethylsilyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
PubChem CID140833081
Molecular FormulaC47H49N3OSi
Molecular Weight700.02 g/mol
Exact Mass699.36
IUPAC Name2-[4-[3-(3,5-ditert-butylphenyl)-5-(5-trimethylsilyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
SMILESCC(C)(C)c1cc(-c2cc(-c3ccc([Si](C)(C)C)cn3)cc(-c3cccc4c3nc(-c3ccccc3O)n4-c3ccccc3)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C47H49N3OSi/c1-46(2,3)35-27-32(28-36(29-35)47(4,5)6)31-24-33(26-34(25-31)41-23-22-38(30-48-41)52(7,8)9)39-19-15-20-42-44(39)49-45(40-18-13-14-21-43(40)51)50(42)37-16-11-10-12-17-37/h10-30,51H,1-9H3
InChIKeyOPQZHRGBPSNNAR-UHFFFAOYSA-N
XLogP11.93
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.02
LogP ≤ 511.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[1-phenyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864345
2-[4-[3-tert-butyl-5-(4-methyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
CID 177094142
2-[1-phenyl-4-[3-phenyl-5-[5-(1-phenylethyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
CID 164742379
2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-6-(3,5-ditert-butylphenyl)-1-phenylbenzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 158141473
2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-(5-phenylpyrido[4,3-b]indol-3-yl)phenyl]benzimidazol-2-yl]phenol
CID 162783113
5-tert-butyl-3-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-2-ol
CID 140865377
2-[4-[3-tert-butyl-5-[4-[9-(3,5-diphenylphenyl)carbazol-4-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol
CID 177093805
2,4-ditert-butyl-6-[1-phenyl-4-[3-(2-phenylpropan-2-yl)-5-(5-phenylpyrido[4,3-b]indol-3-yl)phenyl]benzimidazol-2-yl]phenol
CID 162784155
6-methyl-4-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-3-ol
CID 140864229
2-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2,6-diphenylpyrimidin-4-yl)benzimidazol-2-yl]phenol
CID 140831982
2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-(3,4-dimethyl-5-phenylphenyl)benzimidazol-2-yl]phenol
CID 163682700
2-[4-[3-tert-butyl-5-[4-[9-(3,5-dipyridin-2-ylphenyl)carbazol-1-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol
CID 177093698

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(3,5-ditert-butylphenyl)-5-(5-trimethylsilyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol?
The IUPAC name of 2-[4-[3-(3,5-ditert-butylphenyl)-5-(5-trimethylsilyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol (CID 140833081) is 2-[4-[3-(3,5-ditert-butylphenyl)-5-(5-trimethylsilyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol.
What is the SMILES notation for 2-[4-[3-(3,5-ditert-butylphenyl)-5-(5-trimethylsilyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol?
The canonical SMILES for 2-[4-[3-(3,5-ditert-butylphenyl)-5-(5-trimethylsilyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol is CC(C)(C)c1cc(-c2cc(-c3ccc([Si](C)(C)C)cn3)cc(-c3cccc4c3nc(-c3ccccc3O)n4-c3ccccc3)c2)cc(C(C)(C)C)c1.
What is the InChIKey of 2-[4-[3-(3,5-ditert-butylphenyl)-5-(5-trimethylsilyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol?
The InChIKey is OPQZHRGBPSNNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H49N3OSi/c1-46(2,3)35-27-32(28-36(29-35)47(4,5)6)31-24-33(26-34(25-31)41-23-22-38(30-48-41)52(7,8)9)39-19-15-20-42-44(39)49-45(40-18-13-14-21-43(40)51)50(42)37-16-11-10-12-17-37/h10-30,51H,1-9H3.
What are the key properties of 2-[4-[3-(3,5-ditert-butylphenyl)-5-(5-trimethylsilyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol?
2-[4-[3-(3,5-ditert-butylphenyl)-5-(5-trimethylsilyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol has a molecular weight of 700.02 g/mol, XLogP of 11.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(3,5-ditert-butylphenyl)-5-(5-trimethylsilyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol is sourced from PubChem (CID 140833081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).