2-tert-butyl-6-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol

C37H38N4OSi — CID 140865219

IUPAC2-tert-butyl-6-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
SMILESCn1c(-c2cccc(C(C)(C)C)c2O)nc2c(-c3cc(-c4ccccc4)cc(-c4ccc([Si](C)(C)C)cn4)c3)nccc21
InChIInChI=1S/C37H38N4OSi/c1-37(2,3)30-15-11-14-29(35(30)42)36-40-34-32(41(36)4)18-19-38-33(34)27-21-25(24-12-9-8-10-13-24)20-26(22-27)31-17-16-28(23-39-31)43(5,6)7/h8-23,42H,1-7H3
InChIKeyAZYZARRRGNNUKW-UHFFFAOYSA-N
MW582.82 g/mol
LogP8.58
Rot. Bonds5

About 2-tert-butyl-6-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol

2-tert-butyl-6-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol (PubChem CID 140865219) has the molecular formula C37H38N4OSi and a molecular weight of 582.82 g/mol. Its IUPAC name is 2-tert-butyl-6-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol.

Molecular Properties

Compound Name2-tert-butyl-6-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
PubChem CID140865219
Molecular FormulaC37H38N4OSi
Molecular Weight582.82 g/mol
Exact Mass582.28
IUPAC Name2-tert-butyl-6-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
SMILESCn1c(-c2cccc(C(C)(C)C)c2O)nc2c(-c3cc(-c4ccccc4)cc(-c4ccc([Si](C)(C)C)cn4)c3)nccc21
InChIInChI=1S/C37H38N4OSi/c1-37(2,3)30-15-11-14-29(35(30)42)36-40-34-32(41(36)4)18-19-38-33(34)27-21-25(24-12-9-8-10-13-24)20-26(22-27)31-17-16-28(23-39-31)43(5,6)7/h8-23,42H,1-7H3
InChIKeyAZYZARRRGNNUKW-UHFFFAOYSA-N
XLogP8.58
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.82
LogP ≤ 58.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-6-[1-methyl-4-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol
CID 140865331
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-[1-phenyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864345
2-tert-butyl-6-[1-phenyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140865149
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
bis(2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-1-methylimidazo[4,5-c]pyridin-2-yl]phenol);2,4-ditert-butyl-6-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]imidazo[4,5-c]pyridin-2-yl]phenol;2,4-ditert-butyl-6-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]imidazo[4,5-c]pyridin-2-yl]phenol;platinum
CID 159524409
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-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864141
3-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-2-one
CID 140864719
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-(4-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 140931695
2,4-ditert-butyl-6-[1-methyl-4-[2-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-4-yl]benzimidazol-2-yl]phenol
CID 140832469

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol?
The IUPAC name of 2-tert-butyl-6-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol (CID 140865219) is 2-tert-butyl-6-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol.
What is the SMILES notation for 2-tert-butyl-6-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol?
The canonical SMILES for 2-tert-butyl-6-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol is Cn1c(-c2cccc(C(C)(C)C)c2O)nc2c(-c3cc(-c4ccccc4)cc(-c4ccc([Si](C)(C)C)cn4)c3)nccc21.
What is the InChIKey of 2-tert-butyl-6-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol?
The InChIKey is AZYZARRRGNNUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38N4OSi/c1-37(2,3)30-15-11-14-29(35(30)42)36-40-34-32(41(36)4)18-19-38-33(34)27-21-25(24-12-9-8-10-13-24)20-26(22-27)31-17-16-28(23-39-31)43(5,6)7/h8-23,42H,1-7H3.
What are the key properties of 2-tert-butyl-6-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol?
2-tert-butyl-6-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol has a molecular weight of 582.82 g/mol, XLogP of 8.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol is sourced from PubChem (CID 140865219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).