3-[6-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-3-yl]benzonitrile

C29H24N2O — CID 170546352

IUPAC3-[6-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-3-yl]benzonitrile
SMILES[2H]C([2H])(c1ccnc(-c2cccc3c2oc2cc(-c4cccc(C#N)c4)ccc23)c1)C(C)(C)C
InChIInChI=1S/C29H24N2O/c1-29(2,3)17-19-12-13-31-26(15-19)25-9-5-8-24-23-11-10-22(16-27(23)32-28(24)25)21-7-4-6-20(14-21)18-30/h4-16H,17H2,1-3H3/i17D2
InChIKeyACNYUOAGWUZDCS-FBCWWBABSA-N
MW418.54 g/mol
LogP7.78
Rot. Bonds3

About 3-[6-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-3-yl]benzonitrile

3-[6-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-3-yl]benzonitrile (PubChem CID 170546352) has the molecular formula C29H24N2O and a molecular weight of 418.54 g/mol. Its IUPAC name is 3-[6-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-3-yl]benzonitrile.

Molecular Properties

Compound Name3-[6-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-3-yl]benzonitrile
PubChem CID170546352
Molecular FormulaC29H24N2O
Molecular Weight418.54 g/mol
Exact Mass418.20
IUPAC Name3-[6-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-3-yl]benzonitrile
SMILES[2H]C([2H])(c1ccnc(-c2cccc3c2oc2cc(-c4cccc(C#N)c4)ccc23)c1)C(C)(C)C
InChIInChI=1S/C29H24N2O/c1-29(2,3)17-19-12-13-31-26(15-19)25-9-5-8-24-23-11-10-22(16-27(23)32-28(24)25)21-7-4-6-20(14-21)18-30/h4-16H,17H2,1-3H3/i17D2
InChIKeyACNYUOAGWUZDCS-FBCWWBABSA-N
XLogP7.78
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[6-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-3-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-4-yl)pyridine
CID 162707718
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(2-methyl-[1]benzothiolo[6,5-b][1]benzofuran-8-yl)pyridine
CID 168829154
10-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-[1]benzofuro[3,2-h]quinoline
CID 172522712
4-[2,6-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2-[7-(trideuteriomethyl)dibenzofuran-4-yl]pyridine
CID 166503077
4-[6-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-2-yl]benzenecarboperoxoic acid
CID 166578902
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9-phenyldibenzofuran-3-yl)pyridine
CID 166573930
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]-5-(trideuteriomethyl)pyridine
CID 156624479
4-(2,2-dimethylpropyl)-2-(7-fluorodibenzofuran-4-yl)pyridine
CID 170777206
4-[cyclohexyl(dideuterio)methyl]-2-(7-phenyldibenzofuran-4-yl)pyridine
CID 155611017
3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354479
6-[4-(2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-4-carbonitrile
CID 170251829
2-(7-phenyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyridine
CID 166573759

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-3-yl]benzonitrile?
The IUPAC name of 3-[6-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-3-yl]benzonitrile (CID 170546352) is 3-[6-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-3-yl]benzonitrile.
What is the SMILES notation for 3-[6-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-3-yl]benzonitrile?
The canonical SMILES for 3-[6-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-3-yl]benzonitrile is [2H]C([2H])(c1ccnc(-c2cccc3c2oc2cc(-c4cccc(C#N)c4)ccc23)c1)C(C)(C)C.
What is the InChIKey of 3-[6-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-3-yl]benzonitrile?
The InChIKey is ACNYUOAGWUZDCS-FBCWWBABSA-N. The full InChI is InChI=1S/C29H24N2O/c1-29(2,3)17-19-12-13-31-26(15-19)25-9-5-8-24-23-11-10-22(16-27(23)32-28(24)25)21-7-4-6-20(14-21)18-30/h4-16H,17H2,1-3H3/i17D2.
What are the key properties of 3-[6-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-3-yl]benzonitrile?
3-[6-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-3-yl]benzonitrile has a molecular weight of 418.54 g/mol, XLogP of 7.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-3-yl]benzonitrile is sourced from PubChem (CID 170546352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).