2-phenyl-6-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

C23H16N2O — CID 155611962

IUPAC2-phenyl-6-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILES[2H]C([2H])([2H])c1ccnc(-c2ccc3oc4nc(-c5ccccc5)ccc4c3c2)c1
InChIInChI=1S/C23H16N2O/c1-15-11-12-24-21(13-15)17-7-10-22-19(14-17)18-8-9-20(25-23(18)26-22)16-5-3-2-4-6-16/h2-14H,1H3/i1D3
InChIKeyOMVBNOAVCUACNU-FIBGUPNXSA-N
MW339.41 g/mol
LogP6.02
Rot. Bonds3

About 2-phenyl-6-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

2-phenyl-6-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 155611962) has the molecular formula C23H16N2O and a molecular weight of 339.41 g/mol. Its IUPAC name is 2-phenyl-6-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-phenyl-6-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
PubChem CID155611962
Molecular FormulaC23H16N2O
Molecular Weight339.41 g/mol
Exact Mass339.15
IUPAC Name2-phenyl-6-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILES[2H]C([2H])([2H])c1ccnc(-c2ccc3oc4nc(-c5ccccc5)ccc4c3c2)c1
InChIInChI=1S/C23H16N2O/c1-15-11-12-24-21(13-15)17-7-10-22-19(14-17)18-8-9-20(25-23(18)26-22)16-5-3-2-4-6-16/h2-14H,1H3/i1D3
InChIKeyOMVBNOAVCUACNU-FIBGUPNXSA-N
XLogP6.02
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.41
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-5-(trideuteriomethyl)-8-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 155610894
6-[4-(2-bicyclo[2.2.1]heptanylmethyl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine
CID 169038884
4-methyl-2-[7-(1-phenylethyl)dibenzofuran-2-yl]pyridine
CID 162708112
7-methyl-2-phenylchromeno[2,3-b]pyridin-5-one
CID 71384416
4-(2-deuteriopropan-2-yl)-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 155611009
2-(7-phenyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyridine
CID 166573759
4-phenyl-2-[6-(2-phenylpropan-2-yl)-8-(trideuteriomethyl)dibenzofuran-2-yl]pyridine
CID 162709684
2,4-di(dibenzofuran-2-yl)pyrimidine
CID 121340967
4-tert-butyl-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 155610550
dimethyl-[6-(2-methyl-[1]benzofuro[2,3-b]pyridin-6-yl)-3-pyridinyl]-phenylsilane
CID 140720059
silver bis(4-methyl-2-phenylpyridine)
CID 140722040
3-(4-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 90140779

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-phenyl-6-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (CID 155611962) is 2-phenyl-6-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-phenyl-6-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-phenyl-6-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is [2H]C([2H])([2H])c1ccnc(-c2ccc3oc4nc(-c5ccccc5)ccc4c3c2)c1.
What is the InChIKey of 2-phenyl-6-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is OMVBNOAVCUACNU-FIBGUPNXSA-N. The full InChI is InChI=1S/C23H16N2O/c1-15-11-12-24-21(13-15)17-7-10-22-19(14-17)18-8-9-20(25-23(18)26-22)16-5-3-2-4-6-16/h2-14H,1H3/i1D3.
What are the key properties of 2-phenyl-6-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
2-phenyl-6-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 339.41 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 155611962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).