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

C38H38N4O — CID 140865261

IUPAC2,4-ditert-butyl-6-[3-methyl-7-[3-(5-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
SMILESCn1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3cccc(-c4ccc(-c5ccccc5)cn4)c3)cncc21
InChIInChI=1S/C38H38N4O/c1-37(2,3)28-19-29(35(43)31(20-28)38(4,5)6)36-41-34-30(22-39-23-33(34)42(36)7)25-14-11-15-26(18-25)32-17-16-27(21-40-32)24-12-9-8-10-13-24/h8-23,43H,1-7H3
InChIKeyYTRBFQMFKVQVSO-UHFFFAOYSA-N
MW566.75 g/mol
LogP9.33
Rot. Bonds4

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

2,4-ditert-butyl-6-[3-methyl-7-[3-(5-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol (PubChem CID 140865261) has the molecular formula C38H38N4O and a molecular weight of 566.75 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[3-methyl-7-[3-(5-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[3-methyl-7-[3-(5-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
PubChem CID140865261
Molecular FormulaC38H38N4O
Molecular Weight566.75 g/mol
Exact Mass566.30
IUPAC Name2,4-ditert-butyl-6-[3-methyl-7-[3-(5-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
SMILESCn1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3cccc(-c4ccc(-c5ccccc5)cn4)c3)cncc21
InChIInChI=1S/C38H38N4O/c1-37(2,3)28-19-29(35(43)31(20-28)38(4,5)6)36-41-34-30(22-39-23-33(34)42(36)7)25-14-11-15-26(18-25)32-17-16-27(21-40-32)24-12-9-8-10-13-24/h8-23,43H,1-7H3
InChIKeyYTRBFQMFKVQVSO-UHFFFAOYSA-N
XLogP9.33
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.75
LogP ≤ 59.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-ditert-butyl-6-[3-methyl-7-[3-(2-methylpropyl)-5-pyridin-2-ylphenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864101
4,6-ditert-butyl-2-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol
CID 140865247
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-[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-[1-methyl-4-[3-(2-phenylpropan-2-yl)-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 164743078
2,4-ditert-butyl-6-[1-methyl-4-[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)-5-(3-phenylphenyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 176722866
2,4-ditert-butyl-6-[1-methyl-4-[3-(4-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 140931695
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5-methyl-4-trimethylsilyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]phenol
CID 140931879
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
2-[7-[3-[6-[3-[2-(2-hydroxyphenyl)-3-methylimidazo[4,5-c]pyridin-7-yl]phenyl]pyrimidin-4-yl]phenyl]-3-methylimidazo[4,5-c]pyridin-2-yl]phenol
CID 176622987
2-tert-butyl-6-[3-methyl-7-[3-phenyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]imidazo[4,5-c]pyridin-2-yl]-4-propan-2-ylphenol;2,4-ditert-butyl-6-[3-methyl-7-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]imidazo[4,5-c]pyridin-2-yl]phenol;2,4-ditert-butyl-6-[3-methyl-7-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]imidazo[4,5-c]pyridin-2-yl]phenol;2,4-ditert-butyl-6-[3-methyl-7-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]imidazo[4,5-c]pyridin-2-yl]phenol;2,4-ditert-butyl-6-[3-methyl-7-[3-[4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]imidazo[4,5-c]pyridin-2-yl]phenol;platinum
CID 158824667
2,4-ditert-butyl-6-[3,6-dimethyl-8-[3-phenyl-5-(5-phenyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridin-2-yl]phenol
CID 140868476

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[3-methyl-7-[3-(5-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[3-methyl-7-[3-(5-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol (CID 140865261) is 2,4-ditert-butyl-6-[3-methyl-7-[3-(5-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[3-methyl-7-[3-(5-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[3-methyl-7-[3-(5-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol is Cn1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3cccc(-c4ccc(-c5ccccc5)cn4)c3)cncc21.
What is the InChIKey of 2,4-ditert-butyl-6-[3-methyl-7-[3-(5-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol?
The InChIKey is YTRBFQMFKVQVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38N4O/c1-37(2,3)28-19-29(35(43)31(20-28)38(4,5)6)36-41-34-30(22-39-23-33(34)42(36)7)25-14-11-15-26(18-25)32-17-16-27(21-40-32)24-12-9-8-10-13-24/h8-23,43H,1-7H3.
What are the key properties of 2,4-ditert-butyl-6-[3-methyl-7-[3-(5-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol?
2,4-ditert-butyl-6-[3-methyl-7-[3-(5-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol has a molecular weight of 566.75 g/mol, XLogP of 9.33, 4 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-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol is sourced from PubChem (CID 140865261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).