8-[3-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-[1]benzofuro[2,3-c]pyridine

C20H17NO — CID 90139242

IUPAC8-[3-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-[1]benzofuro[2,3-c]pyridine
SMILES[2H]C([2H])([2H])C([2H])(C)c1cccc(-c2cccc3c2oc2cnccc23)c1
InChIInChI=1S/C20H17NO/c1-13(2)14-5-3-6-15(11-14)16-7-4-8-18-17-9-10-21-12-19(17)22-20(16)18/h3-13H,1-2H3/i1D3,13D
InChIKeyBWOPKGARHQXXCR-FRUMFVOJSA-N
MW291.39 g/mol
LogP5.77
Rot. Bonds3

About 8-[3-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-[1]benzofuro[2,3-c]pyridine

8-[3-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-[1]benzofuro[2,3-c]pyridine (PubChem CID 90139242) has the molecular formula C20H17NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 8-[3-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name8-[3-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-[1]benzofuro[2,3-c]pyridine
PubChem CID90139242
Molecular FormulaC20H17NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name8-[3-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-[1]benzofuro[2,3-c]pyridine
SMILES[2H]C([2H])([2H])C([2H])(C)c1cccc(-c2cccc3c2oc2cnccc23)c1
InChIInChI=1S/C20H17NO/c1-13(2)14-5-3-6-15(11-14)16-7-4-8-18-17-9-10-21-12-19(17)22-20(16)18/h3-13H,1-2H3/i1D3,13D
InChIKeyBWOPKGARHQXXCR-FRUMFVOJSA-N
XLogP5.77
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.39
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-[3-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-[1]benzofuro[2,3-c]pyridine with MolForge

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Related Compounds

8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-c]pyridine
CID 90139294
8-propan-2-yl-[1]benzofuro[2,3-c]pyridine
CID 139383147
6-(3-methylphenyl)-[1]benzofuro[3,2-c]pyridine
CID 90139219
N-[4-([1]benzofuro[2,3-c]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166861741
11-(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-c]pyridine
CID 59575296
3-(1-deuterio-1-phenylethyl)-6-[3-(trideuteriomethyl)phenyl]dibenzofuran
CID 162709557
4-(2-deuteriopropan-2-yl)-2-[7-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]pyridine
CID 166573548
3-(3-dibenzofuran-4-ylphenyl)-1-phenyl-2,7-naphthyridine
CID 118491237
2-[7-(1-deuterio-1-phenylethyl)dibenzofuran-4-yl]-4-(2-deuteriopropan-2-yl)pyridine
CID 162708190
4-[4-[4-(4-propan-2-ylphenyl)phenyl]phenyl]dibenzofuran
CID 67963999
5,10-di(dibenzofuran-4-yl)benzo[g]isoquinoline
CID 59184089
8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 140692664

Frequently Asked Questions

What is the IUPAC name of 8-[3-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 8-[3-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-[1]benzofuro[2,3-c]pyridine (CID 90139242) is 8-[3-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 8-[3-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 8-[3-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-[1]benzofuro[2,3-c]pyridine is [2H]C([2H])([2H])C([2H])(C)c1cccc(-c2cccc3c2oc2cnccc23)c1.
What is the InChIKey of 8-[3-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-[1]benzofuro[2,3-c]pyridine?
The InChIKey is BWOPKGARHQXXCR-FRUMFVOJSA-N. The full InChI is InChI=1S/C20H17NO/c1-13(2)14-5-3-6-15(11-14)16-7-4-8-18-17-9-10-21-12-19(17)22-20(16)18/h3-13H,1-2H3/i1D3,13D.
What are the key properties of 8-[3-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-[1]benzofuro[2,3-c]pyridine?
8-[3-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-[1]benzofuro[2,3-c]pyridine has a molecular weight of 291.39 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 90139242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).