2,4-ditert-butyl-6-[3-methyl-7-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]imidazo[4,5-b]pyridin-2-yl]phenol

C45H44N4O — CID 140864631

IUPAC2,4-ditert-butyl-6-[3-methyl-7-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]imidazo[4,5-b]pyridin-2-yl]phenol
SMILESCc1cnc(-c2cc(-c3ccccc3)cc(-c3ccnc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4C)c2)cc1-c1ccccc1
InChIInChI=1S/C45H44N4O/c1-28-27-47-39(26-36(28)30-17-13-10-14-18-30)33-22-31(29-15-11-9-12-16-29)21-32(23-33)35-19-20-46-43-40(35)48-42(49(43)8)37-24-34(44(2,3)4)25-38(41(37)50)45(5,6)7/h9-27,50H,1-8H3
InChIKeyLILPCTOMUFAYIC-UHFFFAOYSA-N
MW656.87 g/mol
LogP11.31
Rot. Bonds5

About 2,4-ditert-butyl-6-[3-methyl-7-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]imidazo[4,5-b]pyridin-2-yl]phenol

2,4-ditert-butyl-6-[3-methyl-7-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]imidazo[4,5-b]pyridin-2-yl]phenol (PubChem CID 140864631) has the molecular formula C45H44N4O and a molecular weight of 656.87 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[3-methyl-7-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]imidazo[4,5-b]pyridin-2-yl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[3-methyl-7-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]imidazo[4,5-b]pyridin-2-yl]phenol
PubChem CID140864631
Molecular FormulaC45H44N4O
Molecular Weight656.87 g/mol
Exact Mass656.35
IUPAC Name2,4-ditert-butyl-6-[3-methyl-7-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]imidazo[4,5-b]pyridin-2-yl]phenol
SMILESCc1cnc(-c2cc(-c3ccccc3)cc(-c3ccnc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4C)c2)cc1-c1ccccc1
InChIInChI=1S/C45H44N4O/c1-28-27-47-39(26-36(28)30-17-13-10-14-18-30)33-22-31(29-15-11-9-12-16-29)21-32(23-33)35-19-20-46-43-40(35)48-42(49(43)8)37-24-34(44(2,3)4)25-38(41(37)50)45(5,6)7/h9-27,50H,1-8H3
InChIKeyLILPCTOMUFAYIC-UHFFFAOYSA-N
XLogP11.31
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.87
LogP ≤ 511.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-ditert-butyl-6-[7-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-phenylimidazo[4,5-b]pyridin-2-yl]phenol
CID 140864343
2,4-ditert-butyl-6-[7-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol
CID 140864711
2,4-ditert-butyl-6-[3-[2,6-di(propan-2-yl)phenyl]-7-[3-phenyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol
CID 140865317
2,4-ditert-butyl-6-[1-methyl-4-[3-phenyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 140832113
2,4-ditert-butyl-6-[7-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl]phenol
CID 140865177
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
5-tert-butyl-3-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]benzimidazol-2-yl]pyridin-2-ol
CID 140864201
2-tert-butyl-6-[1-methyl-4-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenylphenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140865255
2,4-ditert-butyl-6-[3-[2,6-di(propan-2-yl)phenyl]-7-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol
CID 140864969
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-[1-methyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864887
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

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[3-methyl-7-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]imidazo[4,5-b]pyridin-2-yl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[3-methyl-7-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]imidazo[4,5-b]pyridin-2-yl]phenol (CID 140864631) is 2,4-ditert-butyl-6-[3-methyl-7-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]imidazo[4,5-b]pyridin-2-yl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[3-methyl-7-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]imidazo[4,5-b]pyridin-2-yl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[3-methyl-7-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]imidazo[4,5-b]pyridin-2-yl]phenol is Cc1cnc(-c2cc(-c3ccccc3)cc(-c3ccnc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4C)c2)cc1-c1ccccc1.
What is the InChIKey of 2,4-ditert-butyl-6-[3-methyl-7-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]imidazo[4,5-b]pyridin-2-yl]phenol?
The InChIKey is LILPCTOMUFAYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H44N4O/c1-28-27-47-39(26-36(28)30-17-13-10-14-18-30)33-22-31(29-15-11-9-12-16-29)21-32(23-33)35-19-20-46-43-40(35)48-42(49(43)8)37-24-34(44(2,3)4)25-38(41(37)50)45(5,6)7/h9-27,50H,1-8H3.
What are the key properties of 2,4-ditert-butyl-6-[3-methyl-7-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]imidazo[4,5-b]pyridin-2-yl]phenol?
2,4-ditert-butyl-6-[3-methyl-7-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]imidazo[4,5-b]pyridin-2-yl]phenol has a molecular weight of 656.87 g/mol, XLogP of 11.31, 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-[3-methyl-7-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]imidazo[4,5-b]pyridin-2-yl]phenol is sourced from PubChem (CID 140864631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).