2,4-ditert-butyl-6-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol

C47H48N4O — CID 140864573

IUPAC2,4-ditert-butyl-6-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol
SMILESCC(C)(C)c1cc(-c2ccccn2)cc(-c2nccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C47H48N4O/c1-45(2,3)33-26-31(38-20-15-16-23-48-38)25-32(27-33)41-42-40(22-24-49-41)51(39-21-14-13-19-35(39)30-17-11-10-12-18-30)44(50-42)36-28-34(46(4,5)6)29-37(43(36)52)47(7,8)9/h10-29,52H,1-9H3
InChIKeyFBFVSTWMDMNITR-UHFFFAOYSA-N
MW684.93 g/mol
LogP12.08
Rot. Bonds5

About 2,4-ditert-butyl-6-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol

2,4-ditert-butyl-6-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol (PubChem CID 140864573) has the molecular formula C47H48N4O and a molecular weight of 684.93 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol
PubChem CID140864573
Molecular FormulaC47H48N4O
Molecular Weight684.93 g/mol
Exact Mass684.38
IUPAC Name2,4-ditert-butyl-6-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol
SMILESCC(C)(C)c1cc(-c2ccccn2)cc(-c2nccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C47H48N4O/c1-45(2,3)33-26-31(38-20-15-16-23-48-38)25-32(27-33)41-42-40(22-24-49-41)51(39-21-14-13-19-35(39)30-17-11-10-12-18-30)44(50-42)36-28-34(46(4,5)6)29-37(43(36)52)47(7,8)9/h10-29,52H,1-9H3
InChIKeyFBFVSTWMDMNITR-UHFFFAOYSA-N
XLogP12.08
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.93
LogP ≤ 512.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,4-ditert-butyl-6-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[7-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-(2,6-diphenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol
CID 140864089
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-[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-[3-(2-phenylphenyl)-7-[3-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol
CID 140865535
2,4-ditert-butyl-6-[3-(2,6-diphenylphenyl)-7-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol
CID 140865223
2,4-ditert-butyl-6-[1-methyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864887
2-tert-butyl-6-[1-methyl-4-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol
CID 140865331
2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-[3-pyridazin-3-yl-5-(2,4,6-trimethylphenyl)phenyl]benzimidazol-2-yl]phenol
CID 140832706
2,4-ditert-butyl-6-[6-phenyl-1-(2-phenylphenyl)benzimidazol-2-yl]phenol
CID 176593542
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

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol (CID 140864573) is 2,4-ditert-butyl-6-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol is CC(C)(C)c1cc(-c2ccccn2)cc(-c2nccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2ccccc2-c2ccccc2)c1.
What is the InChIKey of 2,4-ditert-butyl-6-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol?
The InChIKey is FBFVSTWMDMNITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H48N4O/c1-45(2,3)33-26-31(38-20-15-16-23-48-38)25-32(27-33)41-42-40(22-24-49-41)51(39-21-14-13-19-35(39)30-17-11-10-12-18-30)44(50-42)36-28-34(46(4,5)6)29-37(43(36)52)47(7,8)9/h10-29,52H,1-9H3.
What are the key properties of 2,4-ditert-butyl-6-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol?
2,4-ditert-butyl-6-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol has a molecular weight of 684.93 g/mol, XLogP of 12.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol is sourced from PubChem (CID 140864573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).