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

C25H19NO — CID 162710303

IUPAC4-[dideuterio(phenyl)methyl]-2-[7-(trideuteriomethyl)dibenzofuran-4-yl]pyridine
SMILES[2H]C([2H])([2H])c1ccc2c(c1)oc1c(-c3cc(C([2H])([2H])c4ccccc4)ccn3)cccc12
InChIInChI=1S/C25H19NO/c1-17-10-11-20-21-8-5-9-22(25(21)27-24(20)14-17)23-16-19(12-13-26-23)15-18-6-3-2-4-7-18/h2-14,16H,15H2,1H3/i1D3,15D2
InChIKeyKPUTXGCYZDTASO-GJZIZAJSSA-N
MW354.46 g/mol
LogP6.55
Rot. Bonds4

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

4-[dideuterio(phenyl)methyl]-2-[7-(trideuteriomethyl)dibenzofuran-4-yl]pyridine (PubChem CID 162710303) has the molecular formula C25H19NO and a molecular weight of 354.46 g/mol. Its IUPAC name is 4-[dideuterio(phenyl)methyl]-2-[7-(trideuteriomethyl)dibenzofuran-4-yl]pyridine.

Molecular Properties

Compound Name4-[dideuterio(phenyl)methyl]-2-[7-(trideuteriomethyl)dibenzofuran-4-yl]pyridine
PubChem CID162710303
Molecular FormulaC25H19NO
Molecular Weight354.46 g/mol
Exact Mass354.18
IUPAC Name4-[dideuterio(phenyl)methyl]-2-[7-(trideuteriomethyl)dibenzofuran-4-yl]pyridine
SMILES[2H]C([2H])([2H])c1ccc2c(c1)oc1c(-c3cc(C([2H])([2H])c4ccccc4)ccn3)cccc12
InChIInChI=1S/C25H19NO/c1-17-10-11-20-21-8-5-9-22(25(21)27-24(20)14-17)23-16-19(12-13-26-23)15-18-6-3-2-4-7-18/h2-14,16H,15H2,1H3/i1D3,15D2
InChIKeyKPUTXGCYZDTASO-GJZIZAJSSA-N
XLogP6.55
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.46
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-dibenzofuran-4-yl-4-[dideuterio(phenyl)methyl]pyridine
CID 162707858
2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine
CID 162708063
2-(7-phenyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyridine
CID 166573759
2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]-4-(4-fluorophenyl)pyridine
CID 162708942
4-[2,6-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2-[7-(trideuteriomethyl)dibenzofuran-4-yl]pyridine
CID 166503077
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]-5-(trideuteriomethyl)pyridine
CID 162710412
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-4-yl)pyridine
CID 162707718
2-(7-benzyldibenzofuran-4-yl)-4-tert-butylpyridine
CID 162709213
8-(4-benzyl-2-pyridinyl)-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 162707390
4-(2-deuteriopropan-2-yl)-2-[7-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]pyridine
CID 166573548
4-[cyclohexyl(dideuterio)methyl]-2-(7-phenyldibenzofuran-4-yl)pyridine
CID 155611017
2-dibenzofuran-4-yl-4-octylpyridine
CID 171576908

Frequently Asked Questions

What is the IUPAC name of 4-[dideuterio(phenyl)methyl]-2-[7-(trideuteriomethyl)dibenzofuran-4-yl]pyridine?
The IUPAC name of 4-[dideuterio(phenyl)methyl]-2-[7-(trideuteriomethyl)dibenzofuran-4-yl]pyridine (CID 162710303) is 4-[dideuterio(phenyl)methyl]-2-[7-(trideuteriomethyl)dibenzofuran-4-yl]pyridine.
What is the SMILES notation for 4-[dideuterio(phenyl)methyl]-2-[7-(trideuteriomethyl)dibenzofuran-4-yl]pyridine?
The canonical SMILES for 4-[dideuterio(phenyl)methyl]-2-[7-(trideuteriomethyl)dibenzofuran-4-yl]pyridine is [2H]C([2H])([2H])c1ccc2c(c1)oc1c(-c3cc(C([2H])([2H])c4ccccc4)ccn3)cccc12.
What is the InChIKey of 4-[dideuterio(phenyl)methyl]-2-[7-(trideuteriomethyl)dibenzofuran-4-yl]pyridine?
The InChIKey is KPUTXGCYZDTASO-GJZIZAJSSA-N. The full InChI is InChI=1S/C25H19NO/c1-17-10-11-20-21-8-5-9-22(25(21)27-24(20)14-17)23-16-19(12-13-26-23)15-18-6-3-2-4-7-18/h2-14,16H,15H2,1H3/i1D3,15D2.
What are the key properties of 4-[dideuterio(phenyl)methyl]-2-[7-(trideuteriomethyl)dibenzofuran-4-yl]pyridine?
4-[dideuterio(phenyl)methyl]-2-[7-(trideuteriomethyl)dibenzofuran-4-yl]pyridine has a molecular weight of 354.46 g/mol, XLogP of 6.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dideuterio(phenyl)methyl]-2-[7-(trideuteriomethyl)dibenzofuran-4-yl]pyridine is sourced from PubChem (CID 162710303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).