4-(2-deuteriopropan-2-yl)-2-[7-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]pyridine

C27H23NO — CID 166573548

IUPAC4-(2-deuteriopropan-2-yl)-2-[7-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]pyridine
SMILES[2H]C([2H])([2H])c1ccc(-c2ccc3c(c2)oc2c(-c4cc(C([2H])(C)C)ccn4)cccc23)cc1
InChIInChI=1S/C27H23NO/c1-17(2)20-13-14-28-25(15-20)24-6-4-5-23-22-12-11-21(16-26(22)29-27(23)24)19-9-7-18(3)8-10-19/h4-17H,1-3H3/i3D3,17D
InChIKeyINCRUPYMGKRGKI-KEWRGQIHSA-N
MW381.51 g/mol
LogP7.75
Rot. Bonds4

About 4-(2-deuteriopropan-2-yl)-2-[7-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]pyridine

4-(2-deuteriopropan-2-yl)-2-[7-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]pyridine (PubChem CID 166573548) has the molecular formula C27H23NO and a molecular weight of 381.51 g/mol. Its IUPAC name is 4-(2-deuteriopropan-2-yl)-2-[7-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]pyridine.

Molecular Properties

Compound Name4-(2-deuteriopropan-2-yl)-2-[7-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]pyridine
PubChem CID166573548
Molecular FormulaC27H23NO
Molecular Weight381.51 g/mol
Exact Mass381.20
IUPAC Name4-(2-deuteriopropan-2-yl)-2-[7-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]pyridine
SMILES[2H]C([2H])([2H])c1ccc(-c2ccc3c(c2)oc2c(-c4cc(C([2H])(C)C)ccn4)cccc23)cc1
InChIInChI=1S/C27H23NO/c1-17(2)20-13-14-28-25(15-20)24-6-4-5-23-22-12-11-21(16-26(22)29-27(23)24)19-9-7-18(3)8-10-19/h4-17H,1-3H3/i3D3,17D
InChIKeyINCRUPYMGKRGKI-KEWRGQIHSA-N
XLogP7.75
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.51
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2-deuteriopropan-2-yl)-2-[7-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]pyridine with MolForge

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Related Compounds

2-(7-phenyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyridine
CID 166573759
2-(7-tert-butyldibenzofuran-4-yl)-4-(2-deuteriopropan-2-yl)pyridine
CID 165169386
2-[7-(1-deuterio-1-phenylethyl)dibenzofuran-4-yl]-4-(2-deuteriopropan-2-yl)pyridine
CID 162708190
4-propan-2-yl-2-(7-propan-2-yldibenzofuran-4-yl)pyridine
CID 140607533
5-methyl-2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine
CID 166573825
4-(2-deuteriopropan-2-yl)-2-[7-(4-fluorophenyl)-6-(trideuteriomethyl)dibenzofuran-4-yl]pyridine
CID 166574628
4-(2-deuteriopropan-2-yl)-2-[9-(3,5-dimethylphenyl)dibenzofuran-4-yl]pyridine
CID 166573663
2-[7-(3,5-dimethylphenyl)dibenzofuran-4-yl]-4-pentan-3-ylpyridine
CID 166574932
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331
4-(3-methylbutan-2-yl)-2-(7-naphthalen-1-yldibenzofuran-4-yl)pyridine
CID 155611887
2-dibenzofuran-4-yl-4-(4-methylphenyl)pyridine
CID 140775845
8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 140692664

Frequently Asked Questions

What is the IUPAC name of 4-(2-deuteriopropan-2-yl)-2-[7-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]pyridine?
The IUPAC name of 4-(2-deuteriopropan-2-yl)-2-[7-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]pyridine (CID 166573548) is 4-(2-deuteriopropan-2-yl)-2-[7-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]pyridine.
What is the SMILES notation for 4-(2-deuteriopropan-2-yl)-2-[7-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]pyridine?
The canonical SMILES for 4-(2-deuteriopropan-2-yl)-2-[7-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]pyridine is [2H]C([2H])([2H])c1ccc(-c2ccc3c(c2)oc2c(-c4cc(C([2H])(C)C)ccn4)cccc23)cc1.
What is the InChIKey of 4-(2-deuteriopropan-2-yl)-2-[7-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]pyridine?
The InChIKey is INCRUPYMGKRGKI-KEWRGQIHSA-N. The full InChI is InChI=1S/C27H23NO/c1-17(2)20-13-14-28-25(15-20)24-6-4-5-23-22-12-11-21(16-26(22)29-27(23)24)19-9-7-18(3)8-10-19/h4-17H,1-3H3/i3D3,17D.
What are the key properties of 4-(2-deuteriopropan-2-yl)-2-[7-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]pyridine?
4-(2-deuteriopropan-2-yl)-2-[7-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]pyridine has a molecular weight of 381.51 g/mol, XLogP of 7.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-deuteriopropan-2-yl)-2-[7-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]pyridine is sourced from PubChem (CID 166573548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).