2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]-4-(4-fluorophenyl)pyridine

C30H20FNO — CID 162708942

IUPAC2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]-4-(4-fluorophenyl)pyridine
SMILES[2H]C([2H])(c1ccccc1)c1ccc2c(c1)oc1c(-c3cc(-c4ccc(F)cc4)ccn3)cccc12
InChIInChI=1S/C30H20FNO/c31-24-12-10-22(11-13-24)23-15-16-32-28(19-23)27-8-4-7-26-25-14-9-21(18-29(25)33-30(26)27)17-20-5-2-1-3-6-20/h1-16,18-19H,17H2/i17D2
InChIKeyLTMSPUUZYUNDID-FBCWWBABSA-N
MW431.51 g/mol
LogP8.04
Rot. Bonds4

About 2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]-4-(4-fluorophenyl)pyridine

2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]-4-(4-fluorophenyl)pyridine (PubChem CID 162708942) has the molecular formula C30H20FNO and a molecular weight of 431.51 g/mol. Its IUPAC name is 2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]-4-(4-fluorophenyl)pyridine.

Molecular Properties

Compound Name2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]-4-(4-fluorophenyl)pyridine
PubChem CID162708942
Molecular FormulaC30H20FNO
Molecular Weight431.51 g/mol
Exact Mass431.17
IUPAC Name2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]-4-(4-fluorophenyl)pyridine
SMILES[2H]C([2H])(c1ccccc1)c1ccc2c(c1)oc1c(-c3cc(-c4ccc(F)cc4)ccn3)cccc12
InChIInChI=1S/C30H20FNO/c31-24-12-10-22(11-13-24)23-15-16-32-28(19-23)27-8-4-7-26-25-14-9-21(18-29(25)33-30(26)27)17-20-5-2-1-3-6-20/h1-16,18-19H,17H2/i17D2
InChIKeyLTMSPUUZYUNDID-FBCWWBABSA-N
XLogP8.04
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.51
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine
CID 162708063
2-dibenzofuran-4-yl-4-[dideuterio(phenyl)methyl]pyridine
CID 162707858
4-[dideuterio(phenyl)methyl]-2-[7-(trideuteriomethyl)dibenzofuran-4-yl]pyridine
CID 162710303
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-4-yl)pyridine
CID 162707718
2-dibenzofuran-4-yl-4-(4-methylphenyl)pyridine
CID 140775845
2-(7-phenyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyridine
CID 166573759
4-[cyclohexyl(dideuterio)methyl]-2-(7-phenyldibenzofuran-4-yl)pyridine
CID 155611017
2-(7-benzyldibenzofuran-4-yl)-4-tert-butylpyridine
CID 162709213
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]-5-(trideuteriomethyl)pyridine
CID 162710412
4-(4-tert-butylphenyl)-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)pyridine
CID 166043906
4-(2,2-dimethylpropyl)-2-(7-fluorodibenzofuran-4-yl)pyridine
CID 170777206
2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-(3-phenylpentan-3-yl)pyridine
CID 162708104

Frequently Asked Questions

What is the IUPAC name of 2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]-4-(4-fluorophenyl)pyridine?
The IUPAC name of 2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]-4-(4-fluorophenyl)pyridine (CID 162708942) is 2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]-4-(4-fluorophenyl)pyridine.
What is the SMILES notation for 2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]-4-(4-fluorophenyl)pyridine?
The canonical SMILES for 2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]-4-(4-fluorophenyl)pyridine is [2H]C([2H])(c1ccccc1)c1ccc2c(c1)oc1c(-c3cc(-c4ccc(F)cc4)ccn3)cccc12.
What is the InChIKey of 2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]-4-(4-fluorophenyl)pyridine?
The InChIKey is LTMSPUUZYUNDID-FBCWWBABSA-N. The full InChI is InChI=1S/C30H20FNO/c31-24-12-10-22(11-13-24)23-15-16-32-28(19-23)27-8-4-7-26-25-14-9-21(18-29(25)33-30(26)27)17-20-5-2-1-3-6-20/h1-16,18-19H,17H2/i17D2.
What are the key properties of 2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]-4-(4-fluorophenyl)pyridine?
2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]-4-(4-fluorophenyl)pyridine has a molecular weight of 431.51 g/mol, XLogP of 8.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]-4-(4-fluorophenyl)pyridine is sourced from PubChem (CID 162708942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).