2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine

C24H17NO — CID 162708063

IUPAC2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine
SMILES[2H]C([2H])(c1ccccc1)c1ccc2c(c1)oc1c(-c3ccccn3)cccc12
InChIInChI=1S/C24H17NO/c1-2-7-17(8-3-1)15-18-12-13-19-20-9-6-10-21(22-11-4-5-14-25-22)24(20)26-23(19)16-18/h1-14,16H,15H2/i15D2
InChIKeyMPVIJDIGRLKXKR-DOBBINOXSA-N
MW337.42 g/mol
LogP6.24
Rot. Bonds3

About 2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine

2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine (PubChem CID 162708063) has the molecular formula C24H17NO and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine.

Molecular Properties

Compound Name2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine
PubChem CID162708063
Molecular FormulaC24H17NO
Molecular Weight337.42 g/mol
Exact Mass337.14
IUPAC Name2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine
SMILES[2H]C([2H])(c1ccccc1)c1ccc2c(c1)oc1c(-c3ccccn3)cccc12
InChIInChI=1S/C24H17NO/c1-2-7-17(8-3-1)15-18-12-13-19-20-9-6-10-21(22-11-4-5-14-25-22)24(20)26-23(19)16-18/h1-14,16H,15H2/i15D2
InChIKeyMPVIJDIGRLKXKR-DOBBINOXSA-N
XLogP6.24
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.42
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-dibenzofuran-4-yl-4-[dideuterio(phenyl)methyl]pyridine
CID 162707858
2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]-4-(4-fluorophenyl)pyridine
CID 162708942
4-[dideuterio(phenyl)methyl]-2-[7-(trideuteriomethyl)dibenzofuran-4-yl]pyridine
CID 162710303
2-dibenzofuran-4-ylpyridine
CID 59500175
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]-5-(trideuteriomethyl)pyridine
CID 162710412
2-(7-benzyldibenzofuran-4-yl)-4-tert-butylpyridine
CID 162709213
2-(3H-dibenzofuran-3-id-4-yl)-4-[dideuterio(phenyl)methyl]pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium
CID 177279388
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-4-yl)pyridine
CID 162707718
4-pyridin-2-ylxanthen-9-one
CID 167260109
2-(7-benzyldibenzofuran-4-yl)-5-methyl-4-(2-methylpropyl)pyridine
CID 162707916
1-(6-dibenzofuran-4-yl-2-pyridinyl)-8-pyridin-2-yl-9H-carbazole
CID 140902322
4-[cyclohexyl(dideuterio)methyl]-2-(7-phenyldibenzofuran-4-yl)pyridine
CID 155611017

Frequently Asked Questions

What is the IUPAC name of 2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine?
The IUPAC name of 2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine (CID 162708063) is 2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine.
What is the SMILES notation for 2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine?
The canonical SMILES for 2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine is [2H]C([2H])(c1ccccc1)c1ccc2c(c1)oc1c(-c3ccccn3)cccc12.
What is the InChIKey of 2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine?
The InChIKey is MPVIJDIGRLKXKR-DOBBINOXSA-N. The full InChI is InChI=1S/C24H17NO/c1-2-7-17(8-3-1)15-18-12-13-19-20-9-6-10-21(22-11-4-5-14-25-22)24(20)26-23(19)16-18/h1-14,16H,15H2/i15D2.
What are the key properties of 2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine?
2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine has a molecular weight of 337.42 g/mol, XLogP of 6.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine is sourced from PubChem (CID 162708063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).