3-(2-tert-butyl-4-phenylphenyl)-2-(1-methyldibenzofuran-4-yl)imidazo[4,5-c]pyridine

C35H29N3O — CID 156657222

IUPAC3-(2-tert-butyl-4-phenylphenyl)-2-(1-methyldibenzofuran-4-yl)imidazo[4,5-c]pyridine
SMILESCc1ccc(-c2nc3ccncc3n2-c2ccc(-c3ccccc3)cc2C(C)(C)C)c2oc3ccccc3c12
InChIInChI=1S/C35H29N3O/c1-22-14-16-26(33-32(22)25-12-8-9-13-31(25)39-33)34-37-28-18-19-36-21-30(28)38(34)29-17-15-24(20-27(29)35(2,3)4)23-10-6-5-7-11-23/h5-21H,1-4H3
InChIKeyDRPDJDZSELICCI-UHFFFAOYSA-N
MW507.64 g/mol
LogP9.26
Rot. Bonds3

About 3-(2-tert-butyl-4-phenylphenyl)-2-(1-methyldibenzofuran-4-yl)imidazo[4,5-c]pyridine

3-(2-tert-butyl-4-phenylphenyl)-2-(1-methyldibenzofuran-4-yl)imidazo[4,5-c]pyridine (PubChem CID 156657222) has the molecular formula C35H29N3O and a molecular weight of 507.64 g/mol. Its IUPAC name is 3-(2-tert-butyl-4-phenylphenyl)-2-(1-methyldibenzofuran-4-yl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-(2-tert-butyl-4-phenylphenyl)-2-(1-methyldibenzofuran-4-yl)imidazo[4,5-c]pyridine
PubChem CID156657222
Molecular FormulaC35H29N3O
Molecular Weight507.64 g/mol
Exact Mass507.23
IUPAC Name3-(2-tert-butyl-4-phenylphenyl)-2-(1-methyldibenzofuran-4-yl)imidazo[4,5-c]pyridine
SMILESCc1ccc(-c2nc3ccncc3n2-c2ccc(-c3ccccc3)cc2C(C)(C)C)c2oc3ccccc3c12
InChIInChI=1S/C35H29N3O/c1-22-14-16-26(33-32(22)25-12-8-9-13-31(25)39-33)34-37-28-18-19-36-21-30(28)38(34)29-17-15-24(20-27(29)35(2,3)4)23-10-6-5-7-11-23/h5-21H,1-4H3
InChIKeyDRPDJDZSELICCI-UHFFFAOYSA-N
XLogP9.26
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.64
LogP ≤ 59.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-tert-butyl-4-phenyl-6-propan-2-ylphenyl)-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine
CID 166498993
2-tert-butyl-8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-5-methyl-[1]benzofuro[2,3-b]pyridine
CID 156668434
3-phenyl-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine
CID 156658601
8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-(2,6-dimethylphenyl)-5-methyl-[1]benzofuro[2,3-b]pyridine
CID 156668354
2-(1,7-dimethyldibenzofuran-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine
CID 156657144
7-tert-butyl-2-(1-methyldibenzofuran-4-yl)-3-phenylimidazo[4,5-c]pyridine
CID 164825336
1-(2-tert-butyl-4-phenylphenyl)-2-(1-methyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 156660334
6-tert-butyl-2-(1-methyldibenzofuran-4-yl)-1-phenylimidazo[4,5-b]pyridine
CID 164826244
2-dibenzofuran-4-yl-3-phenylimidazo[4,5-c]pyridine
CID 156658408
7-methyl-2-(1-methyldibenzofuran-4-yl)-1-phenylimidazo[4,5-c]pyridine
CID 164826577
2-(1-methyl-7-phenyldibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 170316049
8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 156671586

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butyl-4-phenylphenyl)-2-(1-methyldibenzofuran-4-yl)imidazo[4,5-c]pyridine?
The IUPAC name of 3-(2-tert-butyl-4-phenylphenyl)-2-(1-methyldibenzofuran-4-yl)imidazo[4,5-c]pyridine (CID 156657222) is 3-(2-tert-butyl-4-phenylphenyl)-2-(1-methyldibenzofuran-4-yl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-(2-tert-butyl-4-phenylphenyl)-2-(1-methyldibenzofuran-4-yl)imidazo[4,5-c]pyridine?
The canonical SMILES for 3-(2-tert-butyl-4-phenylphenyl)-2-(1-methyldibenzofuran-4-yl)imidazo[4,5-c]pyridine is Cc1ccc(-c2nc3ccncc3n2-c2ccc(-c3ccccc3)cc2C(C)(C)C)c2oc3ccccc3c12.
What is the InChIKey of 3-(2-tert-butyl-4-phenylphenyl)-2-(1-methyldibenzofuran-4-yl)imidazo[4,5-c]pyridine?
The InChIKey is DRPDJDZSELICCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29N3O/c1-22-14-16-26(33-32(22)25-12-8-9-13-31(25)39-33)34-37-28-18-19-36-21-30(28)38(34)29-17-15-24(20-27(29)35(2,3)4)23-10-6-5-7-11-23/h5-21H,1-4H3.
What are the key properties of 3-(2-tert-butyl-4-phenylphenyl)-2-(1-methyldibenzofuran-4-yl)imidazo[4,5-c]pyridine?
3-(2-tert-butyl-4-phenylphenyl)-2-(1-methyldibenzofuran-4-yl)imidazo[4,5-c]pyridine has a molecular weight of 507.64 g/mol, XLogP of 9.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butyl-4-phenylphenyl)-2-(1-methyldibenzofuran-4-yl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 156657222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).