2-(7-benzyldibenzofuran-4-yl)-4-tert-butylpyridine

C28H25NO — CID 162709213

IUPAC2-(7-benzyldibenzofuran-4-yl)-4-tert-butylpyridine
SMILESCC(C)(C)c1ccnc(-c2cccc3c2oc2cc(Cc4ccccc4)ccc23)c1
InChIInChI=1S/C28H25NO/c1-28(2,3)21-14-15-29-25(18-21)24-11-7-10-23-22-13-12-20(17-26(22)30-27(23)24)16-19-8-5-4-6-9-19/h4-15,17-18H,16H2,1-3H3
InChIKeySPKCHAAZNGKZCW-UHFFFAOYSA-N
MW391.51 g/mol
LogP7.54
Rot. Bonds3

About 2-(7-benzyldibenzofuran-4-yl)-4-tert-butylpyridine

2-(7-benzyldibenzofuran-4-yl)-4-tert-butylpyridine (PubChem CID 162709213) has the molecular formula C28H25NO and a molecular weight of 391.51 g/mol. Its IUPAC name is 2-(7-benzyldibenzofuran-4-yl)-4-tert-butylpyridine.

Molecular Properties

Compound Name2-(7-benzyldibenzofuran-4-yl)-4-tert-butylpyridine
PubChem CID162709213
Molecular FormulaC28H25NO
Molecular Weight391.51 g/mol
Exact Mass391.19
IUPAC Name2-(7-benzyldibenzofuran-4-yl)-4-tert-butylpyridine
SMILESCC(C)(C)c1ccnc(-c2cccc3c2oc2cc(Cc4ccccc4)ccc23)c1
InChIInChI=1S/C28H25NO/c1-28(2,3)21-14-15-29-25(18-21)24-11-7-10-23-22-13-12-20(17-26(22)30-27(23)24)16-19-8-5-4-6-9-19/h4-15,17-18H,16H2,1-3H3
InChIKeySPKCHAAZNGKZCW-UHFFFAOYSA-N
XLogP7.54
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine
CID 167425322
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-tert-butyl-2-[6-(3,5-ditert-butylphenyl)dibenzofuran-3-yl]pyridine
CID 166575883
2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine
CID 162708063
9-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-3-yl]-1,8-dimethylcarbazole
CID 169301818
2-(7-benzyldibenzofuran-4-yl)-5-methyl-4-(2-methylpropyl)pyridine
CID 162707916
2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-(3-phenylpentan-3-yl)pyridine
CID 162708104
8-(4-benzyl-2-pyridinyl)-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 162707390
2-(7-tert-butyldibenzofuran-4-yl)-4-(2-deuteriopropan-2-yl)pyridine
CID 165169386
8-(4-tert-butyl-2-pyridinyl)-4-phenyl-[1]benzofuro[2,3-c]pyridine
CID 155611309
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-4-yl)pyridine
CID 162707718

Frequently Asked Questions

What is the IUPAC name of 2-(7-benzyldibenzofuran-4-yl)-4-tert-butylpyridine?
The IUPAC name of 2-(7-benzyldibenzofuran-4-yl)-4-tert-butylpyridine (CID 162709213) is 2-(7-benzyldibenzofuran-4-yl)-4-tert-butylpyridine.
What is the SMILES notation for 2-(7-benzyldibenzofuran-4-yl)-4-tert-butylpyridine?
The canonical SMILES for 2-(7-benzyldibenzofuran-4-yl)-4-tert-butylpyridine is CC(C)(C)c1ccnc(-c2cccc3c2oc2cc(Cc4ccccc4)ccc23)c1.
What is the InChIKey of 2-(7-benzyldibenzofuran-4-yl)-4-tert-butylpyridine?
The InChIKey is SPKCHAAZNGKZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO/c1-28(2,3)21-14-15-29-25(18-21)24-11-7-10-23-22-13-12-20(17-26(22)30-27(23)24)16-19-8-5-4-6-9-19/h4-15,17-18H,16H2,1-3H3.
What are the key properties of 2-(7-benzyldibenzofuran-4-yl)-4-tert-butylpyridine?
2-(7-benzyldibenzofuran-4-yl)-4-tert-butylpyridine has a molecular weight of 391.51 g/mol, XLogP of 7.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-benzyldibenzofuran-4-yl)-4-tert-butylpyridine is sourced from PubChem (CID 162709213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).