2-(4-tert-butylphenyl)-5-(3,5-dimethylphenyl)furo[3,2-b]pyridine

C25H25NO — CID 155628492

IUPAC2-(4-tert-butylphenyl)-5-(3,5-dimethylphenyl)furo[3,2-b]pyridine
SMILESCc1cc(C)cc(-c2ccc3oc(-c4ccc(C(C)(C)C)cc4)cc3n2)c1
InChIInChI=1S/C25H25NO/c1-16-12-17(2)14-19(13-16)21-10-11-23-22(26-21)15-24(27-23)18-6-8-20(9-7-18)25(3,4)5/h6-15H,1-5H3
InChIKeyCHIUYJMPTCYNBG-UHFFFAOYSA-N
MW355.48 g/mol
LogP7.08
Rot. Bonds2

About 2-(4-tert-butylphenyl)-5-(3,5-dimethylphenyl)furo[3,2-b]pyridine

2-(4-tert-butylphenyl)-5-(3,5-dimethylphenyl)furo[3,2-b]pyridine (PubChem CID 155628492) has the molecular formula C25H25NO and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-(3,5-dimethylphenyl)furo[3,2-b]pyridine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-5-(3,5-dimethylphenyl)furo[3,2-b]pyridine
PubChem CID155628492
Molecular FormulaC25H25NO
Molecular Weight355.48 g/mol
Exact Mass355.19
IUPAC Name2-(4-tert-butylphenyl)-5-(3,5-dimethylphenyl)furo[3,2-b]pyridine
SMILESCc1cc(C)cc(-c2ccc3oc(-c4ccc(C(C)(C)C)cc4)cc3n2)c1
InChIInChI=1S/C25H25NO/c1-16-12-17(2)14-19(13-16)21-10-11-23-22(26-21)15-24(27-23)18-6-8-20(9-7-18)25(3,4)5/h6-15H,1-5H3
InChIKeyCHIUYJMPTCYNBG-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

5-(3,5-dimethylphenyl)-2-(2,4,6-trimethylphenyl)furo[3,2-b]pyridine
CID 155628675
6-(3-tert-butyl-5-methylphenyl)-2-(4-tert-butylphenyl)furo[2,3-b]pyridine
CID 155629218
7-tert-butyl-2-(3,5-dimethylphenyl)quinoline
CID 159604387
2-(4-tert-butylphenyl)-5-(3,5-dimethylbenzene-6-id-1-yl)furo[3,2-b]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155628491
2-(4-tert-butyl-2,6-dimethylphenyl)-5-phenylfuro[3,2-b]pyridine
CID 155628521
2,6-bis(4-tert-butylphenyl)furo[2,3-f][1]benzofuran
CID 102326421
2-(4-fluorophenyl)-5-phenylfuro[3,2-b]pyridine
CID 155629114
2-[4-(2,6-dimethylphenyl)phenyl]-5-(3-phenylphenyl)furo[3,2-b]pyridine
CID 155629004
6-(3-tert-butyl-5-methylphenyl)-2-(4-propan-2-ylphenyl)furo[2,3-b]pyridine
CID 155629033
5-methyl-2-phenylfuro[3,2-b]pyridine
CID 19023700
2-(3-tert-butyl-5-methylphenyl)quinoline
CID 146511822
2-(3,5-dimethylphenyl)-5-methyl-1,3-benzoxazole
CID 46089200

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-5-(3,5-dimethylphenyl)furo[3,2-b]pyridine?
The IUPAC name of 2-(4-tert-butylphenyl)-5-(3,5-dimethylphenyl)furo[3,2-b]pyridine (CID 155628492) is 2-(4-tert-butylphenyl)-5-(3,5-dimethylphenyl)furo[3,2-b]pyridine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-5-(3,5-dimethylphenyl)furo[3,2-b]pyridine?
The canonical SMILES for 2-(4-tert-butylphenyl)-5-(3,5-dimethylphenyl)furo[3,2-b]pyridine is Cc1cc(C)cc(-c2ccc3oc(-c4ccc(C(C)(C)C)cc4)cc3n2)c1.
What is the InChIKey of 2-(4-tert-butylphenyl)-5-(3,5-dimethylphenyl)furo[3,2-b]pyridine?
The InChIKey is CHIUYJMPTCYNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO/c1-16-12-17(2)14-19(13-16)21-10-11-23-22(26-21)15-24(27-23)18-6-8-20(9-7-18)25(3,4)5/h6-15H,1-5H3.
What are the key properties of 2-(4-tert-butylphenyl)-5-(3,5-dimethylphenyl)furo[3,2-b]pyridine?
2-(4-tert-butylphenyl)-5-(3,5-dimethylphenyl)furo[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-butylphenyl)-5-(3,5-dimethylphenyl)furo[3,2-b]pyridine is sourced from PubChem (CID 155628492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).