2-dibenzofuran-4-yl-4-[4-fluoro-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridine

C25H18FNO — CID 159938299

IUPAC2-dibenzofuran-4-yl-4-[4-fluoro-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1cnc(-c2cccc3c2oc2ccccc23)cc1-c1ccc(F)cc1C([2H])([2H])[2H]
InChIInChI=1S/C25H18FNO/c1-15-12-17(26)10-11-18(15)22-13-23(27-14-16(22)2)21-8-5-7-20-19-6-3-4-9-24(19)28-25(20)21/h3-14H,1-2H3/i1D3,2D3
InChIKeyWBMZTVHZWXKVLV-WFGJKAKNSA-N
MW373.46 g/mol
LogP7.07
Rot. Bonds4

About 2-dibenzofuran-4-yl-4-[4-fluoro-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridine

2-dibenzofuran-4-yl-4-[4-fluoro-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridine (PubChem CID 159938299) has the molecular formula C25H18FNO and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-[4-fluoro-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-[4-fluoro-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridine
PubChem CID159938299
Molecular FormulaC25H18FNO
Molecular Weight373.46 g/mol
Exact Mass373.17
IUPAC Name2-dibenzofuran-4-yl-4-[4-fluoro-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1cnc(-c2cccc3c2oc2ccccc23)cc1-c1ccc(F)cc1C([2H])([2H])[2H]
InChIInChI=1S/C25H18FNO/c1-15-12-17(26)10-11-18(15)22-13-23(27-14-16(22)2)21-8-5-7-20-19-6-3-4-9-24(19)28-25(20)21/h3-14H,1-2H3/i1D3,2D3
InChIKeyWBMZTVHZWXKVLV-WFGJKAKNSA-N
XLogP7.07
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-deuteriopropan-2-yl)-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)-5-(trideuteriomethyl)pyridine
CID 166588109
2-(1-fluorodibenzofuran-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine
CID 162708001
trimethyl-[4-[2-(6-phenyldibenzofuran-4-yl)-5-(trideuteriomethyl)-4-pyridinyl]-3-(trideuteriomethyl)phenyl]germane
CID 168743718
2-dibenzofuran-4-yl-5-(4-fluorophenyl)pyridine
CID 166564112
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaen-5-yl)-5-(trideuteriomethyl)pyridine
CID 153490155
4-(1,1-dideuterio-2,2-dimethylpropyl)-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)-5-(trideuteriomethyl)pyridine
CID 153428694
4-dibenzofuran-4-yl-8,16-dioxa-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2,4,6,10,12,14-heptaene
CID 162500362
trimethyl-[4-[2-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)-5-(trideuteriomethyl)-4-pyridinyl]-3-(trideuteriomethyl)phenyl]silane
CID 157408157
4-benzyl-2-dibenzofuran-4-yl-5-methylpyridine
CID 162707040
5-dibenzofuran-4-yl-2-(4-fluorophenyl)furo[2,3-c]pyridine
CID 155626390
5-chloro-2-(6-fluorodibenzofuran-4-yl)-4-[2-(trideuteriomethyl)phenyl]pyridine
CID 171404731
4-[4-(3-methylpentan-3-yl)-2-(trideuteriomethyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-yl-5-(trideuteriomethyl)pyridine
CID 157144601

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-[4-fluoro-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridine?
The IUPAC name of 2-dibenzofuran-4-yl-4-[4-fluoro-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridine (CID 159938299) is 2-dibenzofuran-4-yl-4-[4-fluoro-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-[4-fluoro-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-[4-fluoro-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridine is [2H]C([2H])([2H])c1cnc(-c2cccc3c2oc2ccccc23)cc1-c1ccc(F)cc1C([2H])([2H])[2H].
What is the InChIKey of 2-dibenzofuran-4-yl-4-[4-fluoro-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridine?
The InChIKey is WBMZTVHZWXKVLV-WFGJKAKNSA-N. The full InChI is InChI=1S/C25H18FNO/c1-15-12-17(26)10-11-18(15)22-13-23(27-14-16(22)2)21-8-5-7-20-19-6-3-4-9-24(19)28-25(20)21/h3-14H,1-2H3/i1D3,2D3.
What are the key properties of 2-dibenzofuran-4-yl-4-[4-fluoro-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridine?
2-dibenzofuran-4-yl-4-[4-fluoro-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridine has a molecular weight of 373.46 g/mol, XLogP of 7.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-[4-fluoro-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridine is sourced from PubChem (CID 159938299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).