6-(4,5-dimethyl-2-pyridinyl)-2-fluoro-4-(5-trimethylsilyl-1,3,4-oxadiazol-2-yl)dibenzofuran-3-carbonitrile

C25H21FN4O2Si — CID 171746033

IUPAC6-(4,5-dimethyl-2-pyridinyl)-2-fluoro-4-(5-trimethylsilyl-1,3,4-oxadiazol-2-yl)dibenzofuran-3-carbonitrile
SMILESCc1cnc(-c2cccc3c2oc2c(-c4nnc([Si](C)(C)C)o4)c(C#N)c(F)cc23)cc1C
InChIInChI=1S/C25H21FN4O2Si/c1-13-9-20(28-12-14(13)2)16-8-6-7-15-17-10-19(26)18(11-27)21(23(17)31-22(15)16)24-29-30-25(32-24)33(3,4)5/h6-10,12H,1-5H3
InChIKeyUXLKBMGJFGTAAA-UHFFFAOYSA-N
MW456.55 g/mol
LogP5.87
Rot. Bonds3

About 6-(4,5-dimethyl-2-pyridinyl)-2-fluoro-4-(5-trimethylsilyl-1,3,4-oxadiazol-2-yl)dibenzofuran-3-carbonitrile

6-(4,5-dimethyl-2-pyridinyl)-2-fluoro-4-(5-trimethylsilyl-1,3,4-oxadiazol-2-yl)dibenzofuran-3-carbonitrile (PubChem CID 171746033) has the molecular formula C25H21FN4O2Si and a molecular weight of 456.55 g/mol. Its IUPAC name is 6-(4,5-dimethyl-2-pyridinyl)-2-fluoro-4-(5-trimethylsilyl-1,3,4-oxadiazol-2-yl)dibenzofuran-3-carbonitrile.

Molecular Properties

Compound Name6-(4,5-dimethyl-2-pyridinyl)-2-fluoro-4-(5-trimethylsilyl-1,3,4-oxadiazol-2-yl)dibenzofuran-3-carbonitrile
PubChem CID171746033
Molecular FormulaC25H21FN4O2Si
Molecular Weight456.55 g/mol
Exact Mass456.14
IUPAC Name6-(4,5-dimethyl-2-pyridinyl)-2-fluoro-4-(5-trimethylsilyl-1,3,4-oxadiazol-2-yl)dibenzofuran-3-carbonitrile
SMILESCc1cnc(-c2cccc3c2oc2c(-c4nnc([Si](C)(C)C)o4)c(C#N)c(F)cc23)cc1C
InChIInChI=1S/C25H21FN4O2Si/c1-13-9-20(28-12-14(13)2)16-8-6-7-15-17-10-19(26)18(11-27)21(23(17)31-22(15)16)24-29-30-25(32-24)33(3,4)5/h6-10,12H,1-5H3
InChIKeyUXLKBMGJFGTAAA-UHFFFAOYSA-N
XLogP5.87
TPSA88.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.55
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dimethyl-[1]benzothiolo[7,6-b][1]benzofuran-9-yl)-4,5-dimethylpyridine
CID 168829258
5-methyl-2-naphtho[1,2-b][1]benzofuran-10-yl-4-(2,4,5-trimethylphenyl)pyridine
CID 155785024
4,5-dimethyl-2-(2-methyl-[1]benzothiolo[6,7-b][1]benzofuran-7-yl)pyridine
CID 168829555
18-(4,5-dimethyl-2-pyridinyl)-20-oxa-2,9,11-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3,5,7,9,11,14(19),15,17-nonaene
CID 164709431
5-tert-butyl-4-fluoro-2-[7-fluoro-6-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]pyridine
CID 170152904
6-[5-(trideuteriomethyl)-2-pyridinyl]-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]dibenzofuran-3-carbonitrile
CID 171745888
2-cyclopentyl-8-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 140791331
2,4-ditert-butyl-6-[4-[3-[6-(4,5-dimethyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 164760528
10-(4,5-dimethyl-2-pyridinyl)-15,21-diphenyl-12-oxa-1,15,21-triazaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6(11),7,9,16,18,20(28),22,24,26-dodecaene
CID 176796384
6-[5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]ethyl]-4-methyl-2-pyridinyl]dibenzofuran-3-carbonitrile
CID 170930834
4-tert-butyl-2-(2,3-dimethyl-[1]benzothiolo[7,6-b][1]benzofuran-9-yl)-5-methylpyridine
CID 168829853
3-dibenzofuran-4-yl-2,5-difluorobenzene-1,4-dicarbonitrile
CID 163479333

Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dimethyl-2-pyridinyl)-2-fluoro-4-(5-trimethylsilyl-1,3,4-oxadiazol-2-yl)dibenzofuran-3-carbonitrile?
The IUPAC name of 6-(4,5-dimethyl-2-pyridinyl)-2-fluoro-4-(5-trimethylsilyl-1,3,4-oxadiazol-2-yl)dibenzofuran-3-carbonitrile (CID 171746033) is 6-(4,5-dimethyl-2-pyridinyl)-2-fluoro-4-(5-trimethylsilyl-1,3,4-oxadiazol-2-yl)dibenzofuran-3-carbonitrile.
What is the SMILES notation for 6-(4,5-dimethyl-2-pyridinyl)-2-fluoro-4-(5-trimethylsilyl-1,3,4-oxadiazol-2-yl)dibenzofuran-3-carbonitrile?
The canonical SMILES for 6-(4,5-dimethyl-2-pyridinyl)-2-fluoro-4-(5-trimethylsilyl-1,3,4-oxadiazol-2-yl)dibenzofuran-3-carbonitrile is Cc1cnc(-c2cccc3c2oc2c(-c4nnc([Si](C)(C)C)o4)c(C#N)c(F)cc23)cc1C.
What is the InChIKey of 6-(4,5-dimethyl-2-pyridinyl)-2-fluoro-4-(5-trimethylsilyl-1,3,4-oxadiazol-2-yl)dibenzofuran-3-carbonitrile?
The InChIKey is UXLKBMGJFGTAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O2Si/c1-13-9-20(28-12-14(13)2)16-8-6-7-15-17-10-19(26)18(11-27)21(23(17)31-22(15)16)24-29-30-25(32-24)33(3,4)5/h6-10,12H,1-5H3.
What are the key properties of 6-(4,5-dimethyl-2-pyridinyl)-2-fluoro-4-(5-trimethylsilyl-1,3,4-oxadiazol-2-yl)dibenzofuran-3-carbonitrile?
6-(4,5-dimethyl-2-pyridinyl)-2-fluoro-4-(5-trimethylsilyl-1,3,4-oxadiazol-2-yl)dibenzofuran-3-carbonitrile has a molecular weight of 456.55 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dimethyl-2-pyridinyl)-2-fluoro-4-(5-trimethylsilyl-1,3,4-oxadiazol-2-yl)dibenzofuran-3-carbonitrile is sourced from PubChem (CID 171746033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).