2-(1-fluorodibenzofuran-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine

C24H16FNO — CID 162708001

IUPAC2-(1-fluorodibenzofuran-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1cnc(-c2ccc(F)c3c2oc2ccccc23)cc1-c1ccccc1
InChIInChI=1S/C24H16FNO/c1-15-14-26-21(13-19(15)16-7-3-2-4-8-16)17-11-12-20(25)23-18-9-5-6-10-22(18)27-24(17)23/h2-14H,1H3/i1D3
InChIKeyCHSAQFCLUHBCJD-FIBGUPNXSA-N
MW356.41 g/mol
LogP6.76
Rot. Bonds3

About 2-(1-fluorodibenzofuran-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine

2-(1-fluorodibenzofuran-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine (PubChem CID 162708001) has the molecular formula C24H16FNO and a molecular weight of 356.41 g/mol. Its IUPAC name is 2-(1-fluorodibenzofuran-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine.

Molecular Properties

Compound Name2-(1-fluorodibenzofuran-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine
PubChem CID162708001
Molecular FormulaC24H16FNO
Molecular Weight356.41 g/mol
Exact Mass356.14
IUPAC Name2-(1-fluorodibenzofuran-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1cnc(-c2ccc(F)c3c2oc2ccccc23)cc1-c1ccccc1
InChIInChI=1S/C24H16FNO/c1-15-14-26-21(13-19(15)16-7-3-2-4-8-16)17-11-12-20(25)23-18-9-5-6-10-22(18)27-24(17)23/h2-14H,1H3/i1D3
InChIKeyCHSAQFCLUHBCJD-FIBGUPNXSA-N
XLogP6.76
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.41
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(1-phenyldibenzofuran-4-yl)-5-(trideuteriomethyl)pyridine
CID 166575779
2-[1-(1-deuterio-1-phenylethyl)dibenzofuran-4-yl]-5-phenyl-4-(trideuteriomethyl)pyridine
CID 162709912
2-dibenzofuran-4-yl-4-[4-fluoro-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridine
CID 159938299
2-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,5-bis(trideuteriomethyl)pyridine
CID 168731031
trimethyl-[4-[2-(6-phenyldibenzofuran-4-yl)-5-(trideuteriomethyl)-4-pyridinyl]-3-(trideuteriomethyl)phenyl]germane
CID 168743718
4-(1,1-dideuterio-2-methylpropyl)-2-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)-5-(trideuteriomethyl)pyridine
CID 169291810
4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-4-yl)pyridine
CID 166575304
4-fluoro-1-(2-phenylphenyl)dibenzofuran
CID 146490411
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
5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-8-(trideuteriomethyl)-3,20-dioxa-7-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 176823176
3-(5-methyl-4-phenyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 162709104
2-(1-fluoro-7-phenyldibenzofuran-4-yl)-4-propan-2-ylpyridine
CID 166573402

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorodibenzofuran-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine?
The IUPAC name of 2-(1-fluorodibenzofuran-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine (CID 162708001) is 2-(1-fluorodibenzofuran-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine.
What is the SMILES notation for 2-(1-fluorodibenzofuran-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine?
The canonical SMILES for 2-(1-fluorodibenzofuran-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine is [2H]C([2H])([2H])c1cnc(-c2ccc(F)c3c2oc2ccccc23)cc1-c1ccccc1.
What is the InChIKey of 2-(1-fluorodibenzofuran-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine?
The InChIKey is CHSAQFCLUHBCJD-FIBGUPNXSA-N. The full InChI is InChI=1S/C24H16FNO/c1-15-14-26-21(13-19(15)16-7-3-2-4-8-16)17-11-12-20(25)23-18-9-5-6-10-22(18)27-24(17)23/h2-14H,1H3/i1D3.
What are the key properties of 2-(1-fluorodibenzofuran-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine?
2-(1-fluorodibenzofuran-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine has a molecular weight of 356.41 g/mol, XLogP of 6.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorodibenzofuran-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine is sourced from PubChem (CID 162708001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).