4-tert-butyl-2-(2-methoxydibenzofuran-4-yl)pyridine

C22H21NO2 — CID 155386640

IUPAC4-tert-butyl-2-(2-methoxydibenzofuran-4-yl)pyridine
SMILESCOc1cc(-c2cc(C(C)(C)C)ccn2)c2oc3ccccc3c2c1
InChIInChI=1S/C22H21NO2/c1-22(2,3)14-9-10-23-19(11-14)18-13-15(24-4)12-17-16-7-5-6-8-20(16)25-21(17)18/h5-13H,1-4H3
InChIKeyNBNGKYPMWJHSHF-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.95
Rot. Bonds2

About 4-tert-butyl-2-(2-methoxydibenzofuran-4-yl)pyridine

4-tert-butyl-2-(2-methoxydibenzofuran-4-yl)pyridine (PubChem CID 155386640) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-tert-butyl-2-(2-methoxydibenzofuran-4-yl)pyridine.

Molecular Properties

Compound Name4-tert-butyl-2-(2-methoxydibenzofuran-4-yl)pyridine
PubChem CID155386640
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name4-tert-butyl-2-(2-methoxydibenzofuran-4-yl)pyridine
SMILESCOc1cc(-c2cc(C(C)(C)C)ccn2)c2oc3ccccc3c2c1
InChIInChI=1S/C22H21NO2/c1-22(2,3)14-9-10-23-19(11-14)18-13-15(24-4)12-17-16-7-5-6-8-20(16)25-21(17)18/h5-13H,1-4H3
InChIKeyNBNGKYPMWJHSHF-UHFFFAOYSA-N
XLogP5.95
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-2-(2-methoxydibenzofuran-4-yl)pyridine with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-(4-tert-butyl-2-pyridinyl)dibenzofuran-2-yl]oxy-9-(3,3-dimethylbutan-2-yl)carbazole
CID 163747433
4-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine
CID 167425322
2-(1-bromodibenzofuran-4-yl)-4-tert-butylpyridine
CID 164796614
9-(4-tert-butyl-2-pyridinyl)-2-[4-(4-tert-butyl-2-pyridinyl)-6-deuterio-7-fluorodibenzofuran-2-yl]oxycarbazole
CID 177287879
2-(7-benzyldibenzofuran-4-yl)-4-tert-butylpyridine
CID 162709213
4-tert-butyl-2-(6-phenyldibenzofuran-4-yl)pyridine
CID 166573800
6-(4-tert-butyl-2-pyridinyl)-3-methyl-[1]benzofuro[3,2-c]pyridine
CID 155610480
4-(4-tert-butylphenyl)-2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)pyridine
CID 166043906
2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-dibenzofuran-4-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-dibenzofuran-4-ylbenzene-6-id-1-yl]-4-tert-butylpyridine;iridium(3+)
CID 140838377
8-(4-tert-butyl-2-pyridinyl)-4-phenyl-[1]benzofuro[2,3-c]pyridine
CID 155611309
4-tert-butyl-2-[6-(3,5-ditert-butylphenyl)dibenzofuran-3-yl]pyridine
CID 166575883
4-methoxy-2-[8-(trideuteriomethyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-5-yl]pyridine
CID 176873980

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(2-methoxydibenzofuran-4-yl)pyridine?
The IUPAC name of 4-tert-butyl-2-(2-methoxydibenzofuran-4-yl)pyridine (CID 155386640) is 4-tert-butyl-2-(2-methoxydibenzofuran-4-yl)pyridine.
What is the SMILES notation for 4-tert-butyl-2-(2-methoxydibenzofuran-4-yl)pyridine?
The canonical SMILES for 4-tert-butyl-2-(2-methoxydibenzofuran-4-yl)pyridine is COc1cc(-c2cc(C(C)(C)C)ccn2)c2oc3ccccc3c2c1.
What is the InChIKey of 4-tert-butyl-2-(2-methoxydibenzofuran-4-yl)pyridine?
The InChIKey is NBNGKYPMWJHSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-22(2,3)14-9-10-23-19(11-14)18-13-15(24-4)12-17-16-7-5-6-8-20(16)25-21(17)18/h5-13H,1-4H3.
What are the key properties of 4-tert-butyl-2-(2-methoxydibenzofuran-4-yl)pyridine?
4-tert-butyl-2-(2-methoxydibenzofuran-4-yl)pyridine has a molecular weight of 331.42 g/mol, XLogP of 5.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(2-methoxydibenzofuran-4-yl)pyridine is sourced from PubChem (CID 155386640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).