8-(4-tert-butyl-2-pyridinyl)-4-phenyl-[1]benzofuro[2,3-c]pyridine

C26H22N2O — CID 155611309

IUPAC8-(4-tert-butyl-2-pyridinyl)-4-phenyl-[1]benzofuro[2,3-c]pyridine
SMILESCC(C)(C)c1ccnc(-c2cccc3c2oc2cncc(-c4ccccc4)c23)c1
InChIInChI=1S/C26H22N2O/c1-26(2,3)18-12-13-28-22(14-18)19-10-7-11-20-24-21(17-8-5-4-6-9-17)15-27-16-23(24)29-25(19)20/h4-16H,1-3H3
InChIKeyZPWWWCDBABAXJS-UHFFFAOYSA-N
MW378.48 g/mol
LogP7.01
Rot. Bonds2

About 8-(4-tert-butyl-2-pyridinyl)-4-phenyl-[1]benzofuro[2,3-c]pyridine

8-(4-tert-butyl-2-pyridinyl)-4-phenyl-[1]benzofuro[2,3-c]pyridine (PubChem CID 155611309) has the molecular formula C26H22N2O and a molecular weight of 378.48 g/mol. Its IUPAC name is 8-(4-tert-butyl-2-pyridinyl)-4-phenyl-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name8-(4-tert-butyl-2-pyridinyl)-4-phenyl-[1]benzofuro[2,3-c]pyridine
PubChem CID155611309
Molecular FormulaC26H22N2O
Molecular Weight378.48 g/mol
Exact Mass378.17
IUPAC Name8-(4-tert-butyl-2-pyridinyl)-4-phenyl-[1]benzofuro[2,3-c]pyridine
SMILESCC(C)(C)c1ccnc(-c2cccc3c2oc2cncc(-c4ccccc4)c23)c1
InChIInChI=1S/C26H22N2O/c1-26(2,3)18-12-13-28-22(14-18)19-10-7-11-20-24-21(17-8-5-4-6-9-17)15-27-16-23(24)29-25(19)20/h4-16H,1-3H3
InChIKeyZPWWWCDBABAXJS-UHFFFAOYSA-N
XLogP7.01
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-2-(6-phenyldibenzofuran-4-yl)pyridine
CID 166573800
4-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine
CID 167425322
6-(4-tert-butyl-2-pyridinyl)-3-methyl-[1]benzofuro[3,2-c]pyridine
CID 155610480
2-(7-benzyldibenzofuran-4-yl)-4-tert-butylpyridine
CID 162709213
2-(1-bromodibenzofuran-4-yl)-4-tert-butylpyridine
CID 164796614
2-[6-(4-tert-butylphenyl)dibenzofuran-4-yl]-4-phenylpyridine
CID 166574499
4-tert-butyl-2-(7,9-diphenyldibenzofuran-4-yl)pyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 169039375
[8-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridin-5-yl]-trimethylsilane
CID 164796745
4-[4-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]benzonitrile
CID 170546327
8-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-c]pyridine
CID 171721165
4-tert-butyl-2-[6-(3,5-ditert-butylphenyl)dibenzofuran-3-yl]pyridine
CID 166575883
6-(4-tert-butylphenyl)-3-phenyl-[1]benzofuro[3,2-c]pyridine
CID 154728765

Frequently Asked Questions

What is the IUPAC name of 8-(4-tert-butyl-2-pyridinyl)-4-phenyl-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 8-(4-tert-butyl-2-pyridinyl)-4-phenyl-[1]benzofuro[2,3-c]pyridine (CID 155611309) is 8-(4-tert-butyl-2-pyridinyl)-4-phenyl-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 8-(4-tert-butyl-2-pyridinyl)-4-phenyl-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 8-(4-tert-butyl-2-pyridinyl)-4-phenyl-[1]benzofuro[2,3-c]pyridine is CC(C)(C)c1ccnc(-c2cccc3c2oc2cncc(-c4ccccc4)c23)c1.
What is the InChIKey of 8-(4-tert-butyl-2-pyridinyl)-4-phenyl-[1]benzofuro[2,3-c]pyridine?
The InChIKey is ZPWWWCDBABAXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O/c1-26(2,3)18-12-13-28-22(14-18)19-10-7-11-20-24-21(17-8-5-4-6-9-17)15-27-16-23(24)29-25(19)20/h4-16H,1-3H3.
What are the key properties of 8-(4-tert-butyl-2-pyridinyl)-4-phenyl-[1]benzofuro[2,3-c]pyridine?
8-(4-tert-butyl-2-pyridinyl)-4-phenyl-[1]benzofuro[2,3-c]pyridine has a molecular weight of 378.48 g/mol, XLogP of 7.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-tert-butyl-2-pyridinyl)-4-phenyl-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 155611309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).