2-(4-tert-butyl-2,6-dimethylphenyl)-5-phenylfuro[3,2-b]pyridine

C25H25NO — CID 155628521

IUPAC2-(4-tert-butyl-2,6-dimethylphenyl)-5-phenylfuro[3,2-b]pyridine
SMILESCc1cc(C(C)(C)C)cc(C)c1-c1cc2nc(-c3ccccc3)ccc2o1
InChIInChI=1S/C25H25NO/c1-16-13-19(25(3,4)5)14-17(2)24(16)23-15-21-22(27-23)12-11-20(26-21)18-9-7-6-8-10-18/h6-15H,1-5H3
InChIKeyIXNOVXZSJXPICS-UHFFFAOYSA-N
MW355.48 g/mol
LogP7.08
Rot. Bonds2

About 2-(4-tert-butyl-2,6-dimethylphenyl)-5-phenylfuro[3,2-b]pyridine

2-(4-tert-butyl-2,6-dimethylphenyl)-5-phenylfuro[3,2-b]pyridine (PubChem CID 155628521) has the molecular formula C25H25NO and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-(4-tert-butyl-2,6-dimethylphenyl)-5-phenylfuro[3,2-b]pyridine.

Molecular Properties

Compound Name2-(4-tert-butyl-2,6-dimethylphenyl)-5-phenylfuro[3,2-b]pyridine
PubChem CID155628521
Molecular FormulaC25H25NO
Molecular Weight355.48 g/mol
Exact Mass355.19
IUPAC Name2-(4-tert-butyl-2,6-dimethylphenyl)-5-phenylfuro[3,2-b]pyridine
SMILESCc1cc(C(C)(C)C)cc(C)c1-c1cc2nc(-c3ccccc3)ccc2o1
InChIInChI=1S/C25H25NO/c1-16-13-19(25(3,4)5)14-17(2)24(16)23-15-21-22(27-23)12-11-20(26-21)18-9-7-6-8-10-18/h6-15H,1-5H3
InChIKeyIXNOVXZSJXPICS-UHFFFAOYSA-N
XLogP7.08
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dimethylphenyl)-5-(3-phenylphenyl)furo[3,2-b]pyridine
CID 155628953
5-(3,5-dimethylphenyl)-2-(2,4,6-trimethylphenyl)furo[3,2-b]pyridine
CID 155628675
2-[4-(2,6-dimethylphenyl)phenyl]-5-(3-phenylphenyl)furo[3,2-b]pyridine
CID 155629004
2-(4-fluorophenyl)-5-phenylfuro[3,2-b]pyridine
CID 155629114
2-(4-tert-butylphenyl)-5-(3,5-dimethylphenyl)furo[3,2-b]pyridine
CID 155628492
5-methyl-2-phenylfuro[3,2-b]pyridine
CID 19023700
6-phenyl-2-(2,4,6-trimethylphenyl)furo[2,3-b]pyridine
CID 155628870
2-(3,5-ditert-butylphenyl)-6-phenylfuro[3,2-c]pyridine
CID 155626706
2-(4-tert-butyl-2,6-dimethylphenyl)-5-(3-phenylphenyl)thieno[3,2-b]pyridine
CID 155628498
5-phenyl-2-[3-(2-phenyl-5H-cyclopenta[b]pyridin-6-yl)-5-(5-phenylfuro[3,2-b]pyridin-2-yl)phenyl]furo[3,2-b]pyridine
CID 153204159
5-(4-phenylphenyl)furo[3,2-b]pyridine-2-carboxylic acid
CID 155391753
2-(2,6-dimethylphenyl)-5-phenylfuro[3,2-b]pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(4-methylphenyl)-5-phenylfuro[3,2-b]pyridine;2-phenyl-5-phenylfuro[3,2-b]pyridine;5-phenyl-2-(2,4,6-trimethylphenyl)furo[3,2-b]pyridine
CID 159663454

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)-5-phenylfuro[3,2-b]pyridine?
The IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)-5-phenylfuro[3,2-b]pyridine (CID 155628521) is 2-(4-tert-butyl-2,6-dimethylphenyl)-5-phenylfuro[3,2-b]pyridine.
What is the SMILES notation for 2-(4-tert-butyl-2,6-dimethylphenyl)-5-phenylfuro[3,2-b]pyridine?
The canonical SMILES for 2-(4-tert-butyl-2,6-dimethylphenyl)-5-phenylfuro[3,2-b]pyridine is Cc1cc(C(C)(C)C)cc(C)c1-c1cc2nc(-c3ccccc3)ccc2o1.
What is the InChIKey of 2-(4-tert-butyl-2,6-dimethylphenyl)-5-phenylfuro[3,2-b]pyridine?
The InChIKey is IXNOVXZSJXPICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO/c1-16-13-19(25(3,4)5)14-17(2)24(16)23-15-21-22(27-23)12-11-20(26-21)18-9-7-6-8-10-18/h6-15H,1-5H3.
What are the key properties of 2-(4-tert-butyl-2,6-dimethylphenyl)-5-phenylfuro[3,2-b]pyridine?
2-(4-tert-butyl-2,6-dimethylphenyl)-5-phenylfuro[3,2-b]pyridine has a molecular weight of 355.48 g/mol, XLogP of 7.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2,6-dimethylphenyl)-5-phenylfuro[3,2-b]pyridine is sourced from PubChem (CID 155628521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).