2-(7-phenyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyridine

C24H17NO — CID 166573759

IUPAC2-(7-phenyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1ccnc(-c2cccc3c2oc2cc(-c4ccccc4)ccc23)c1
InChIInChI=1S/C24H17NO/c1-16-12-13-25-22(14-16)21-9-5-8-20-19-11-10-18(15-23(19)26-24(20)21)17-6-3-2-4-7-17/h2-15H,1H3/i1D3
InChIKeyDAZPHKRGRRCYRL-FIBGUPNXSA-N
MW338.42 g/mol
LogP6.62
Rot. Bonds3

About 2-(7-phenyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyridine

2-(7-phenyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyridine (PubChem CID 166573759) has the molecular formula C24H17NO and a molecular weight of 338.42 g/mol. Its IUPAC name is 2-(7-phenyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyridine.

Molecular Properties

Compound Name2-(7-phenyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyridine
PubChem CID166573759
Molecular FormulaC24H17NO
Molecular Weight338.42 g/mol
Exact Mass338.15
IUPAC Name2-(7-phenyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1ccnc(-c2cccc3c2oc2cc(-c4ccccc4)ccc23)c1
InChIInChI=1S/C24H17NO/c1-16-12-13-25-22(14-16)21-9-5-8-20-19-11-10-18(15-23(19)26-24(20)21)17-6-3-2-4-7-17/h2-15H,1H3/i1D3
InChIKeyDAZPHKRGRRCYRL-FIBGUPNXSA-N
XLogP6.62
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.42
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-deuteriopropan-2-yl)-2-[7-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]pyridine
CID 166573548
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-4-yl)pyridine
CID 162707718
4-[dideuterio(phenyl)methyl]-2-[7-(trideuteriomethyl)dibenzofuran-4-yl]pyridine
CID 162710303
2-dibenzofuran-4-yl-4-(4-methylphenyl)pyridine
CID 140775845
2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-(3-phenylpentan-3-yl)pyridine
CID 162708104
iridium;2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-phenylpyridine;2-phenylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 169038594
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]-5-(trideuteriomethyl)pyridine
CID 156624479
4-[cyclohexyl(dideuterio)methyl]-2-(7-phenyldibenzofuran-4-yl)pyridine
CID 155611017
4-[2,6-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2-[7-(trideuteriomethyl)dibenzofuran-4-yl]pyridine
CID 166503077
4-(4-tert-butylphenyl)-2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)pyridine
CID 166043906
2-(6-methyldibenzofuran-4-yl)-4-phenylpyridine
CID 140775821
2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]-4-(4-fluorophenyl)pyridine
CID 162708942

Frequently Asked Questions

What is the IUPAC name of 2-(7-phenyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyridine?
The IUPAC name of 2-(7-phenyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyridine (CID 166573759) is 2-(7-phenyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyridine.
What is the SMILES notation for 2-(7-phenyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyridine?
The canonical SMILES for 2-(7-phenyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyridine is [2H]C([2H])([2H])c1ccnc(-c2cccc3c2oc2cc(-c4ccccc4)ccc23)c1.
What is the InChIKey of 2-(7-phenyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyridine?
The InChIKey is DAZPHKRGRRCYRL-FIBGUPNXSA-N. The full InChI is InChI=1S/C24H17NO/c1-16-12-13-25-22(14-16)21-9-5-8-20-19-11-10-18(15-23(19)26-24(20)21)17-6-3-2-4-7-17/h2-15H,1H3/i1D3.
What are the key properties of 2-(7-phenyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyridine?
2-(7-phenyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyridine has a molecular weight of 338.42 g/mol, XLogP of 6.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-phenyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyridine is sourced from PubChem (CID 166573759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).