2-(4-tert-butyl-3-methylcyclohexa-1,5-dien-1-yl)-7-(3,5-dimethylphenyl)furo[2,3-c]pyridine

C26H29NO — CID 146226175

IUPAC2-(4-tert-butyl-3-methylcyclohexa-1,5-dien-1-yl)-7-(3,5-dimethylphenyl)furo[2,3-c]pyridine
SMILESCc1cc(C)cc(-c2nccc3cc(C4=CC(C)C(C(C)(C)C)C=C4)oc23)c1
InChIInChI=1S/C26H29NO/c1-16-11-17(2)13-21(12-16)24-25-20(9-10-27-24)15-23(28-25)19-7-8-22(18(3)14-19)26(4,5)6/h7-15,18,22H,1-6H3
InChIKeyDEZJTHBRNBALOT-UHFFFAOYSA-N
MW371.52 g/mol
LogP7.36
Rot. Bonds2

About 2-(4-tert-butyl-3-methylcyclohexa-1,5-dien-1-yl)-7-(3,5-dimethylphenyl)furo[2,3-c]pyridine

2-(4-tert-butyl-3-methylcyclohexa-1,5-dien-1-yl)-7-(3,5-dimethylphenyl)furo[2,3-c]pyridine (PubChem CID 146226175) has the molecular formula C26H29NO and a molecular weight of 371.52 g/mol. Its IUPAC name is 2-(4-tert-butyl-3-methylcyclohexa-1,5-dien-1-yl)-7-(3,5-dimethylphenyl)furo[2,3-c]pyridine.

Molecular Properties

Compound Name2-(4-tert-butyl-3-methylcyclohexa-1,5-dien-1-yl)-7-(3,5-dimethylphenyl)furo[2,3-c]pyridine
PubChem CID146226175
Molecular FormulaC26H29NO
Molecular Weight371.52 g/mol
Exact Mass371.22
IUPAC Name2-(4-tert-butyl-3-methylcyclohexa-1,5-dien-1-yl)-7-(3,5-dimethylphenyl)furo[2,3-c]pyridine
SMILESCc1cc(C)cc(-c2nccc3cc(C4=CC(C)C(C(C)(C)C)C=C4)oc23)c1
InChIInChI=1S/C26H29NO/c1-16-11-17(2)13-21(12-16)24-25-20(9-10-27-24)15-23(28-25)19-7-8-22(18(3)14-19)26(4,5)6/h7-15,18,22H,1-6H3
InChIKeyDEZJTHBRNBALOT-UHFFFAOYSA-N
XLogP7.36
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.52
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-tert-butyl-3-methylcyclohexa-1,5-dien-1-yl)-7-(3,5-dimethylphenyl)furo[2,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-3-methylcyclohexa-1,5-dien-1-yl)-7-(3,5-dimethylphenyl)furo[2,3-c]pyridine?
The IUPAC name of 2-(4-tert-butyl-3-methylcyclohexa-1,5-dien-1-yl)-7-(3,5-dimethylphenyl)furo[2,3-c]pyridine (CID 146226175) is 2-(4-tert-butyl-3-methylcyclohexa-1,5-dien-1-yl)-7-(3,5-dimethylphenyl)furo[2,3-c]pyridine.
What is the SMILES notation for 2-(4-tert-butyl-3-methylcyclohexa-1,5-dien-1-yl)-7-(3,5-dimethylphenyl)furo[2,3-c]pyridine?
The canonical SMILES for 2-(4-tert-butyl-3-methylcyclohexa-1,5-dien-1-yl)-7-(3,5-dimethylphenyl)furo[2,3-c]pyridine is Cc1cc(C)cc(-c2nccc3cc(C4=CC(C)C(C(C)(C)C)C=C4)oc23)c1.
What is the InChIKey of 2-(4-tert-butyl-3-methylcyclohexa-1,5-dien-1-yl)-7-(3,5-dimethylphenyl)furo[2,3-c]pyridine?
The InChIKey is DEZJTHBRNBALOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO/c1-16-11-17(2)13-21(12-16)24-25-20(9-10-27-24)15-23(28-25)19-7-8-22(18(3)14-19)26(4,5)6/h7-15,18,22H,1-6H3.
What are the key properties of 2-(4-tert-butyl-3-methylcyclohexa-1,5-dien-1-yl)-7-(3,5-dimethylphenyl)furo[2,3-c]pyridine?
2-(4-tert-butyl-3-methylcyclohexa-1,5-dien-1-yl)-7-(3,5-dimethylphenyl)furo[2,3-c]pyridine has a molecular weight of 371.52 g/mol, XLogP of 7.36, 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-3-methylcyclohexa-1,5-dien-1-yl)-7-(3,5-dimethylphenyl)furo[2,3-c]pyridine is sourced from PubChem (CID 146226175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).