4-(2-methylpropyl)-5-(trideuteriomethyl)-2-[7-(2,4,6-trimethylphenyl)dibenzofuran-2-yl]pyridine

C31H31NO — CID 155612380

IUPAC4-(2-methylpropyl)-5-(trideuteriomethyl)-2-[7-(2,4,6-trimethylphenyl)dibenzofuran-2-yl]pyridine
SMILES[2H]C([2H])([2H])c1cnc(-c2ccc3oc4cc(-c5c(C)cc(C)cc5C)ccc4c3c2)cc1CC(C)C
InChIInChI=1S/C31H31NO/c1-18(2)11-25-15-28(32-17-22(25)6)23-8-10-29-27(14-23)26-9-7-24(16-30(26)33-29)31-20(4)12-19(3)13-21(31)5/h7-10,12-18H,11H2,1-6H3/i6D3
InChIKeySGIKEWCDMPQZDK-UNLAWSRZSA-N
MW436.61 g/mol
LogP8.75
Rot. Bonds5

About 4-(2-methylpropyl)-5-(trideuteriomethyl)-2-[7-(2,4,6-trimethylphenyl)dibenzofuran-2-yl]pyridine

4-(2-methylpropyl)-5-(trideuteriomethyl)-2-[7-(2,4,6-trimethylphenyl)dibenzofuran-2-yl]pyridine (PubChem CID 155612380) has the molecular formula C31H31NO and a molecular weight of 436.61 g/mol. Its IUPAC name is 4-(2-methylpropyl)-5-(trideuteriomethyl)-2-[7-(2,4,6-trimethylphenyl)dibenzofuran-2-yl]pyridine.

Molecular Properties

Compound Name4-(2-methylpropyl)-5-(trideuteriomethyl)-2-[7-(2,4,6-trimethylphenyl)dibenzofuran-2-yl]pyridine
PubChem CID155612380
Molecular FormulaC31H31NO
Molecular Weight436.61 g/mol
Exact Mass436.26
IUPAC Name4-(2-methylpropyl)-5-(trideuteriomethyl)-2-[7-(2,4,6-trimethylphenyl)dibenzofuran-2-yl]pyridine
SMILES[2H]C([2H])([2H])c1cnc(-c2ccc3oc4cc(-c5c(C)cc(C)cc5C)ccc4c3c2)cc1CC(C)C
InChIInChI=1S/C31H31NO/c1-18(2)11-25-15-28(32-17-22(25)6)23-8-10-29-27(14-23)26-9-7-24(16-30(26)33-29)31-20(4)12-19(3)13-21(31)5/h7-10,12-18H,11H2,1-6H3/i6D3
InChIKeySGIKEWCDMPQZDK-UNLAWSRZSA-N
XLogP8.75
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.61
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2-methylpropyl)-5-(trideuteriomethyl)-2-[7-(2,4,6-trimethylphenyl)dibenzofuran-2-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-(3-dibenzofuran-2-yl-4-methylphenyl)-5-(trideuteriomethyl)pyridine
CID 157495373
5-(1-deuterio-1-phenylethyl)-2-dibenzofuran-2-yl-4-[dideuterio(phenyl)methyl]pyridine
CID 162710557
4-(2-deuteriopropan-2-yl)-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 155611009
[6-(1,3-dimethyl-[1]benzofuro[2,3-c]pyridin-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylsilane
CID 140719967
4-[cyclopentyl(dideuterio)methyl]-2-[7-(2,6-dimethylphenyl)dibenzofuran-2-yl]pyridine
CID 166575549
4-methyl-2-[7-(1-phenylethyl)dibenzofuran-2-yl]pyridine
CID 162708112
trimethyl-[6-(3-methyl-[1]benzofuro[3,2-c]pyridin-8-yl)-3-pyridinyl]silane
CID 170532051
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]-5-(trideuteriomethyl)pyridine
CID 156624479
2-(7-benzyldibenzofuran-4-yl)-5-methyl-4-(2-methylpropyl)pyridine
CID 162707916
(6-dibenzofuran-2-yl-3-pyridinyl)-methyl-diphenylsilane
CID 140719613
iridium;2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[4-(2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
CID 166576697

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-5-(trideuteriomethyl)-2-[7-(2,4,6-trimethylphenyl)dibenzofuran-2-yl]pyridine?
The IUPAC name of 4-(2-methylpropyl)-5-(trideuteriomethyl)-2-[7-(2,4,6-trimethylphenyl)dibenzofuran-2-yl]pyridine (CID 155612380) is 4-(2-methylpropyl)-5-(trideuteriomethyl)-2-[7-(2,4,6-trimethylphenyl)dibenzofuran-2-yl]pyridine.
What is the SMILES notation for 4-(2-methylpropyl)-5-(trideuteriomethyl)-2-[7-(2,4,6-trimethylphenyl)dibenzofuran-2-yl]pyridine?
The canonical SMILES for 4-(2-methylpropyl)-5-(trideuteriomethyl)-2-[7-(2,4,6-trimethylphenyl)dibenzofuran-2-yl]pyridine is [2H]C([2H])([2H])c1cnc(-c2ccc3oc4cc(-c5c(C)cc(C)cc5C)ccc4c3c2)cc1CC(C)C.
What is the InChIKey of 4-(2-methylpropyl)-5-(trideuteriomethyl)-2-[7-(2,4,6-trimethylphenyl)dibenzofuran-2-yl]pyridine?
The InChIKey is SGIKEWCDMPQZDK-UNLAWSRZSA-N. The full InChI is InChI=1S/C31H31NO/c1-18(2)11-25-15-28(32-17-22(25)6)23-8-10-29-27(14-23)26-9-7-24(16-30(26)33-29)31-20(4)12-19(3)13-21(31)5/h7-10,12-18H,11H2,1-6H3/i6D3.
What are the key properties of 4-(2-methylpropyl)-5-(trideuteriomethyl)-2-[7-(2,4,6-trimethylphenyl)dibenzofuran-2-yl]pyridine?
4-(2-methylpropyl)-5-(trideuteriomethyl)-2-[7-(2,4,6-trimethylphenyl)dibenzofuran-2-yl]pyridine has a molecular weight of 436.61 g/mol, XLogP of 8.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-5-(trideuteriomethyl)-2-[7-(2,4,6-trimethylphenyl)dibenzofuran-2-yl]pyridine is sourced from PubChem (CID 155612380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).