2-(7-benzyldibenzofuran-4-yl)-5-methyl-4-(2-methylpropyl)pyridine

C29H27NO — CID 162707916

IUPAC2-(7-benzyldibenzofuran-4-yl)-5-methyl-4-(2-methylpropyl)pyridine
SMILESCc1cnc(-c2cccc3c2oc2cc(Cc4ccccc4)ccc23)cc1CC(C)C
InChIInChI=1S/C29H27NO/c1-19(2)14-23-17-27(30-18-20(23)3)26-11-7-10-25-24-13-12-22(16-28(24)31-29(25)26)15-21-8-5-4-6-9-21/h4-13,16-19H,14-15H2,1-3H3
InChIKeyCLVWVUKEGOKOIC-UHFFFAOYSA-N
MW405.54 g/mol
LogP7.75
Rot. Bonds5

About 2-(7-benzyldibenzofuran-4-yl)-5-methyl-4-(2-methylpropyl)pyridine

2-(7-benzyldibenzofuran-4-yl)-5-methyl-4-(2-methylpropyl)pyridine (PubChem CID 162707916) has the molecular formula C29H27NO and a molecular weight of 405.54 g/mol. Its IUPAC name is 2-(7-benzyldibenzofuran-4-yl)-5-methyl-4-(2-methylpropyl)pyridine.

Molecular Properties

Compound Name2-(7-benzyldibenzofuran-4-yl)-5-methyl-4-(2-methylpropyl)pyridine
PubChem CID162707916
Molecular FormulaC29H27NO
Molecular Weight405.54 g/mol
Exact Mass405.21
IUPAC Name2-(7-benzyldibenzofuran-4-yl)-5-methyl-4-(2-methylpropyl)pyridine
SMILESCc1cnc(-c2cccc3c2oc2cc(Cc4ccccc4)ccc23)cc1CC(C)C
InChIInChI=1S/C29H27NO/c1-19(2)14-23-17-27(30-18-20(23)3)26-11-7-10-25-24-13-12-22(16-28(24)31-29(25)26)15-21-8-5-4-6-9-21/h4-13,16-19H,14-15H2,1-3H3
InChIKeyCLVWVUKEGOKOIC-UHFFFAOYSA-N
XLogP7.75
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.54
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzyl-2-dibenzofuran-4-yl-5-methylpyridine
CID 162707040
2-(7-benzyldibenzofuran-4-yl)-4-tert-butylpyridine
CID 162709213
4-benzyl-2-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine
CID 162708647
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]-5-(trideuteriomethyl)pyridine
CID 162710412
5-methyl-4-(2-methylpropyl)-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine
CID 162708849
1-methyl-4-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7-(1-phenylethyl)-[1]benzofuro[3,2-c]pyridine
CID 162710494
5-methyl-2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine
CID 166573825
2-(7-benzyl-1-methyldibenzofuran-4-yl)-4-propan-2-ylpyridine
CID 162708417
2-(2,6-dimethyl-4-phenylphenyl)-8-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 168827656
2-benzyl-6-methyldibenzofuran
CID 155004540
2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine
CID 162708063
8-(4-benzyl-2-pyridinyl)-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 162707390

Frequently Asked Questions

What is the IUPAC name of 2-(7-benzyldibenzofuran-4-yl)-5-methyl-4-(2-methylpropyl)pyridine?
The IUPAC name of 2-(7-benzyldibenzofuran-4-yl)-5-methyl-4-(2-methylpropyl)pyridine (CID 162707916) is 2-(7-benzyldibenzofuran-4-yl)-5-methyl-4-(2-methylpropyl)pyridine.
What is the SMILES notation for 2-(7-benzyldibenzofuran-4-yl)-5-methyl-4-(2-methylpropyl)pyridine?
The canonical SMILES for 2-(7-benzyldibenzofuran-4-yl)-5-methyl-4-(2-methylpropyl)pyridine is Cc1cnc(-c2cccc3c2oc2cc(Cc4ccccc4)ccc23)cc1CC(C)C.
What is the InChIKey of 2-(7-benzyldibenzofuran-4-yl)-5-methyl-4-(2-methylpropyl)pyridine?
The InChIKey is CLVWVUKEGOKOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO/c1-19(2)14-23-17-27(30-18-20(23)3)26-11-7-10-25-24-13-12-22(16-28(24)31-29(25)26)15-21-8-5-4-6-9-21/h4-13,16-19H,14-15H2,1-3H3.
What are the key properties of 2-(7-benzyldibenzofuran-4-yl)-5-methyl-4-(2-methylpropyl)pyridine?
2-(7-benzyldibenzofuran-4-yl)-5-methyl-4-(2-methylpropyl)pyridine has a molecular weight of 405.54 g/mol, XLogP of 7.75, 5 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)-5-methyl-4-(2-methylpropyl)pyridine is sourced from PubChem (CID 162707916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).