5-methyl-4-(2-methylpropyl)-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine

C31H31NO — CID 162708849

IUPAC5-methyl-4-(2-methylpropyl)-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine
SMILESCc1cnc(-c2ccc(C(C)(C)c3ccccc3)c3c2oc2ccccc23)cc1CC(C)C
InChIInChI=1S/C31H31NO/c1-20(2)17-22-18-27(32-19-21(22)3)24-15-16-26(31(4,5)23-11-7-6-8-12-23)29-25-13-9-10-14-28(25)33-30(24)29/h6-16,18-20H,17H2,1-5H3
InChIKeyAAXSHKOLIYEMBY-UHFFFAOYSA-N
MW433.60 g/mol
LogP8.48
Rot. Bonds5

About 5-methyl-4-(2-methylpropyl)-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine

5-methyl-4-(2-methylpropyl)-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine (PubChem CID 162708849) has the molecular formula C31H31NO and a molecular weight of 433.60 g/mol. Its IUPAC name is 5-methyl-4-(2-methylpropyl)-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine.

Molecular Properties

Compound Name5-methyl-4-(2-methylpropyl)-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine
PubChem CID162708849
Molecular FormulaC31H31NO
Molecular Weight433.60 g/mol
Exact Mass433.24
IUPAC Name5-methyl-4-(2-methylpropyl)-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine
SMILESCc1cnc(-c2ccc(C(C)(C)c3ccccc3)c3c2oc2ccccc23)cc1CC(C)C
InChIInChI=1S/C31H31NO/c1-20(2)17-22-18-27(32-19-21(22)3)24-15-16-26(31(4,5)23-11-7-6-8-12-23)29-25-13-9-10-14-28(25)33-30(24)29/h6-16,18-20H,17H2,1-5H3
InChIKeyAAXSHKOLIYEMBY-UHFFFAOYSA-N
XLogP8.48
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.60
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methyl-4-(2-methylpropyl)-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine with MolForge

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Related Compounds

5-methyl-4-(2-methylpropyl)-2-[9-(2-phenylpropan-2-yl)dibenzofuran-2-yl]pyridine
CID 162708883
2-(7-benzyldibenzofuran-4-yl)-5-methyl-4-(2-methylpropyl)pyridine
CID 162707916
4-[cyclopentyl(dideuterio)methyl]-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine
CID 162709860
4-benzyl-2-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine
CID 162708647
1-methyl-4-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7-(1-phenylethyl)-[1]benzofuro[3,2-c]pyridine
CID 162710494
[6-(1-carbazol-9-yldibenzofuran-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane
CID 163214388
3-(5-methyl-4-phenyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 162709104
4-(cyclopentylmethyl)-2-[1-(2-pyridin-4-ylpropan-2-yl)dibenzofuran-4-yl]pyridine
CID 162707805
[4-(4-butan-2-yl-5-methyl-2-pyridinyl)dibenzofuran-1-yl]-trimethylsilane
CID 164796829
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(1-phenyldibenzofuran-4-yl)-5-(trideuteriomethyl)pyridine
CID 166575779
4-benzyl-2-dibenzofuran-4-yl-5-methylpyridine
CID 162707040
5-methyl-2-(1-methyldibenzofuran-4-yl)pyridine
CID 156686733

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-methylpropyl)-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine?
The IUPAC name of 5-methyl-4-(2-methylpropyl)-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine (CID 162708849) is 5-methyl-4-(2-methylpropyl)-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine.
What is the SMILES notation for 5-methyl-4-(2-methylpropyl)-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine?
The canonical SMILES for 5-methyl-4-(2-methylpropyl)-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine is Cc1cnc(-c2ccc(C(C)(C)c3ccccc3)c3c2oc2ccccc23)cc1CC(C)C.
What is the InChIKey of 5-methyl-4-(2-methylpropyl)-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine?
The InChIKey is AAXSHKOLIYEMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31NO/c1-20(2)17-22-18-27(32-19-21(22)3)24-15-16-26(31(4,5)23-11-7-6-8-12-23)29-25-13-9-10-14-28(25)33-30(24)29/h6-16,18-20H,17H2,1-5H3.
What are the key properties of 5-methyl-4-(2-methylpropyl)-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine?
5-methyl-4-(2-methylpropyl)-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine has a molecular weight of 433.60 g/mol, XLogP of 8.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-methylpropyl)-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine is sourced from PubChem (CID 162708849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).