2-[8-phenyl-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine

C27H23NO — CID 166577199

IUPAC2-[8-phenyl-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine
SMILES[2H]C([2H])([2H])c1cc(-c2ccccc2)cc2c1oc1c(-c3cc(C(C)C)ccn3)cccc12
InChIInChI=1S/C27H23NO/c1-17(2)20-12-13-28-25(16-20)23-11-7-10-22-24-15-21(19-8-5-4-6-9-19)14-18(3)26(24)29-27(22)23/h4-17H,1-3H3/i3D3
InChIKeyHMOZGMXCAKJVOX-HPRDVNIFSA-N
MW380.51 g/mol
LogP7.75
Rot. Bonds4

About 2-[8-phenyl-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine

2-[8-phenyl-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine (PubChem CID 166577199) has the molecular formula C27H23NO and a molecular weight of 380.51 g/mol. Its IUPAC name is 2-[8-phenyl-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine.

Molecular Properties

Compound Name2-[8-phenyl-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine
PubChem CID166577199
Molecular FormulaC27H23NO
Molecular Weight380.51 g/mol
Exact Mass380.20
IUPAC Name2-[8-phenyl-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine
SMILES[2H]C([2H])([2H])c1cc(-c2ccccc2)cc2c1oc1c(-c3cc(C(C)C)ccn3)cccc12
InChIInChI=1S/C27H23NO/c1-17(2)20-12-13-28-25(16-20)23-11-7-10-22-24-15-21(19-8-5-4-6-9-19)14-18(3)26(24)29-27(22)23/h4-17H,1-3H3/i3D3
InChIKeyHMOZGMXCAKJVOX-HPRDVNIFSA-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 ≤ 500380.51
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trimethyl-[4-phenyl-6-(4-propan-2-yl-2-pyridinyl)dibenzofuran-3-yl]germane
CID 164832486
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331
3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridine
CID 155610525
2-(6-methyldibenzofuran-4-yl)-4-phenylpyridine
CID 140775821
2-[7-(4-fluorophenyl)-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine
CID 166576213
4-propan-2-yl-2-(7-propan-2-yldibenzofuran-4-yl)pyridine
CID 140607533
4-(1-phenylethyl)-2-[8-(4-phenylphenyl)dibenzofuran-4-yl]pyridine
CID 166575689
8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-3-phenyl-[1]benzofuro[2,3-b]pyridine
CID 155611435
2-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,5-bis(trideuteriomethyl)pyridine
CID 168731031
iridium;2-[8-phenyl-6-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166577198
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

Frequently Asked Questions

What is the IUPAC name of 2-[8-phenyl-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine?
The IUPAC name of 2-[8-phenyl-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine (CID 166577199) is 2-[8-phenyl-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine.
What is the SMILES notation for 2-[8-phenyl-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine?
The canonical SMILES for 2-[8-phenyl-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine is [2H]C([2H])([2H])c1cc(-c2ccccc2)cc2c1oc1c(-c3cc(C(C)C)ccn3)cccc12.
What is the InChIKey of 2-[8-phenyl-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine?
The InChIKey is HMOZGMXCAKJVOX-HPRDVNIFSA-N. The full InChI is InChI=1S/C27H23NO/c1-17(2)20-12-13-28-25(16-20)23-11-7-10-22-24-15-21(19-8-5-4-6-9-19)14-18(3)26(24)29-27(22)23/h4-17H,1-3H3/i3D3.
What are the key properties of 2-[8-phenyl-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine?
2-[8-phenyl-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine has a molecular weight of 380.51 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 2-[8-phenyl-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine is sourced from PubChem (CID 166577199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).