2-[1-[dideuterio(phenyl)methyl]dibenzofuran-2-yl]-5-(trideuteriomethyl)pyridine

C25H19NO — CID 162710400

IUPAC2-[1-[dideuterio(phenyl)methyl]dibenzofuran-2-yl]-5-(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1ccc(-c2ccc3oc4ccccc4c3c2C([2H])([2H])c2ccccc2)nc1
InChIInChI=1S/C25H19NO/c1-17-11-13-22(26-16-17)19-12-14-24-25(20-9-5-6-10-23(20)27-24)21(19)15-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3/i1D3,15D2
InChIKeyAQXOBEJGJIAQJW-GJZIZAJSSA-N
MW354.46 g/mol
LogP6.55
Rot. Bonds4

About 2-[1-[dideuterio(phenyl)methyl]dibenzofuran-2-yl]-5-(trideuteriomethyl)pyridine

2-[1-[dideuterio(phenyl)methyl]dibenzofuran-2-yl]-5-(trideuteriomethyl)pyridine (PubChem CID 162710400) has the molecular formula C25H19NO and a molecular weight of 354.46 g/mol. Its IUPAC name is 2-[1-[dideuterio(phenyl)methyl]dibenzofuran-2-yl]-5-(trideuteriomethyl)pyridine.

Molecular Properties

Compound Name2-[1-[dideuterio(phenyl)methyl]dibenzofuran-2-yl]-5-(trideuteriomethyl)pyridine
PubChem CID162710400
Molecular FormulaC25H19NO
Molecular Weight354.46 g/mol
Exact Mass354.18
IUPAC Name2-[1-[dideuterio(phenyl)methyl]dibenzofuran-2-yl]-5-(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1ccc(-c2ccc3oc4ccccc4c3c2C([2H])([2H])c2ccccc2)nc1
InChIInChI=1S/C25H19NO/c1-17-11-13-22(26-16-17)19-12-14-24-25(20-9-5-6-10-23(20)27-24)21(19)15-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3/i1D3,15D2
InChIKeyAQXOBEJGJIAQJW-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

5-methyl-2-(1-methyldibenzofuran-4-yl)pyridine
CID 156686733
2-(3-dibenzofuran-2-yl-4-methylphenyl)-5-(trideuteriomethyl)pyridine
CID 157495373
2-[1-[dideuterio(phenyl)methyl]-3H-dibenzofuran-3-id-4-yl]-5-phenyl-4-(trideuteriomethyl)pyridine;iridium;2-phenyl-5-(trideuteriomethyl)pyridine
CID 162709522
trimethyl-[8-(2-methylpropyl)-4-[5-(trideuteriomethyl)-2-pyridinyl]dibenzofuran-1-yl]silane
CID 164796961
5-(1-deuterio-1-phenylethyl)-2-dibenzofuran-2-yl-4-[dideuterio(phenyl)methyl]pyridine
CID 162710557
iridium;5-methyl-2-(3-naphtho[2,1-b][1]benzofuran-4-ylbenzene-6-id-1-yl)pyridine;2-phenyl-5-(trideuteriomethyl)pyridine
CID 172506804
4-[5-(trideuteriomethyl)-2-pyridinyl]-23-oxa-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene
CID 164803327
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-[dideuterio(phenyl)methyl]-6-[2-fluoro-4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylgermane
CID 162707186
16-[3-[5-(trideuteriomethyl)-2-pyridinyl]phenoxy]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1,3,5,7,10,12,14(19),15,17,20-decaene
CID 159166828
8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-1-[dideuterio(phenyl)methyl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
CID 162707340
4-[dideuterio(phenyl)methyl]-2-[7-(trideuteriomethyl)dibenzofuran-4-yl]pyridine
CID 162710303

Frequently Asked Questions

What is the IUPAC name of 2-[1-[dideuterio(phenyl)methyl]dibenzofuran-2-yl]-5-(trideuteriomethyl)pyridine?
The IUPAC name of 2-[1-[dideuterio(phenyl)methyl]dibenzofuran-2-yl]-5-(trideuteriomethyl)pyridine (CID 162710400) is 2-[1-[dideuterio(phenyl)methyl]dibenzofuran-2-yl]-5-(trideuteriomethyl)pyridine.
What is the SMILES notation for 2-[1-[dideuterio(phenyl)methyl]dibenzofuran-2-yl]-5-(trideuteriomethyl)pyridine?
The canonical SMILES for 2-[1-[dideuterio(phenyl)methyl]dibenzofuran-2-yl]-5-(trideuteriomethyl)pyridine is [2H]C([2H])([2H])c1ccc(-c2ccc3oc4ccccc4c3c2C([2H])([2H])c2ccccc2)nc1.
What is the InChIKey of 2-[1-[dideuterio(phenyl)methyl]dibenzofuran-2-yl]-5-(trideuteriomethyl)pyridine?
The InChIKey is AQXOBEJGJIAQJW-GJZIZAJSSA-N. The full InChI is InChI=1S/C25H19NO/c1-17-11-13-22(26-16-17)19-12-14-24-25(20-9-5-6-10-23(20)27-24)21(19)15-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3/i1D3,15D2.
What are the key properties of 2-[1-[dideuterio(phenyl)methyl]dibenzofuran-2-yl]-5-(trideuteriomethyl)pyridine?
2-[1-[dideuterio(phenyl)methyl]dibenzofuran-2-yl]-5-(trideuteriomethyl)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 2-[1-[dideuterio(phenyl)methyl]dibenzofuran-2-yl]-5-(trideuteriomethyl)pyridine is sourced from PubChem (CID 162710400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).