2-[7-(4-fluorophenyl)-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine

C27H22FNO — CID 166576213

IUPAC2-[7-(4-fluorophenyl)-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine
SMILES[2H]C([2H])([2H])c1c(-c2ccc(F)cc2)ccc2c1oc1c(-c3cc(C(C)C)ccn3)cccc12
InChIInChI=1S/C27H22FNO/c1-16(2)19-13-14-29-25(15-19)24-6-4-5-22-23-12-11-21(17(3)26(23)30-27(22)24)18-7-9-20(28)10-8-18/h4-16H,1-3H3/i3D3
InChIKeyJLXKMWAEWGKKQP-HPRDVNIFSA-N
MW398.50 g/mol
LogP7.89
Rot. Bonds4

About 2-[7-(4-fluorophenyl)-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine

2-[7-(4-fluorophenyl)-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine (PubChem CID 166576213) has the molecular formula C27H22FNO and a molecular weight of 398.50 g/mol. Its IUPAC name is 2-[7-(4-fluorophenyl)-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine.

Molecular Properties

Compound Name2-[7-(4-fluorophenyl)-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine
PubChem CID166576213
Molecular FormulaC27H22FNO
Molecular Weight398.50 g/mol
Exact Mass398.19
IUPAC Name2-[7-(4-fluorophenyl)-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine
SMILES[2H]C([2H])([2H])c1c(-c2ccc(F)cc2)ccc2c1oc1c(-c3cc(C(C)C)ccn3)cccc12
InChIInChI=1S/C27H22FNO/c1-16(2)19-13-14-29-25(15-19)24-6-4-5-22-23-12-11-21(17(3)26(23)30-27(22)24)18-7-9-20(28)10-8-18/h4-16H,1-3H3/i3D3
InChIKeyJLXKMWAEWGKKQP-HPRDVNIFSA-N
XLogP7.89
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.50
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-deuteriopropan-2-yl)-2-[7-(4-fluorophenyl)-6-(trideuteriomethyl)dibenzofuran-4-yl]pyridine
CID 166574628
2-[8-phenyl-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine
CID 166577199
4-propan-2-yl-2-(7-propan-2-yldibenzofuran-4-yl)pyridine
CID 140607533
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331
4-[6-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]dibenzofuran-4-yl]benzenecarboperoxoic acid
CID 166573818
trimethyl-[4-phenyl-6-(4-propan-2-yl-2-pyridinyl)dibenzofuran-3-yl]germane
CID 164832486
4-[1-deuterio-1-(4-fluorophenyl)ethyl]-2-dibenzofuran-4-ylpyridine
CID 177279356
2-(4-fluoro-2,6-dimethylphenyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 155611638
4-(2-deuteriopropan-2-yl)-2-[7-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]pyridine
CID 166573548
trimethyl-[10-(4-propan-2-yl-2-pyridinyl)naphtho[1,2-b][1]benzofuran-3-yl]silane
CID 164832366
8-(4-propan-2-yl-2-pyridinyl)-2-(2,3,3,3-tetradeuterio-2-methylpropyl)-[1]benzofuro[2,3-b]pyridine
CID 158125886
2-(1-fluoro-7-phenyldibenzofuran-4-yl)-4-propan-2-ylpyridine
CID 166573402

Frequently Asked Questions

What is the IUPAC name of 2-[7-(4-fluorophenyl)-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine?
The IUPAC name of 2-[7-(4-fluorophenyl)-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine (CID 166576213) is 2-[7-(4-fluorophenyl)-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine.
What is the SMILES notation for 2-[7-(4-fluorophenyl)-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine?
The canonical SMILES for 2-[7-(4-fluorophenyl)-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine is [2H]C([2H])([2H])c1c(-c2ccc(F)cc2)ccc2c1oc1c(-c3cc(C(C)C)ccn3)cccc12.
What is the InChIKey of 2-[7-(4-fluorophenyl)-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine?
The InChIKey is JLXKMWAEWGKKQP-HPRDVNIFSA-N. The full InChI is InChI=1S/C27H22FNO/c1-16(2)19-13-14-29-25(15-19)24-6-4-5-22-23-12-11-21(17(3)26(23)30-27(22)24)18-7-9-20(28)10-8-18/h4-16H,1-3H3/i3D3.
What are the key properties of 2-[7-(4-fluorophenyl)-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine?
2-[7-(4-fluorophenyl)-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine has a molecular weight of 398.50 g/mol, XLogP of 7.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4-fluorophenyl)-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine is sourced from PubChem (CID 166576213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).