5-(1-deuterio-1-phenylethyl)-2-dibenzofuran-2-yl-4-[dideuterio(phenyl)methyl]pyridine

C32H25NO — CID 162710557

IUPAC5-(1-deuterio-1-phenylethyl)-2-dibenzofuran-2-yl-4-[dideuterio(phenyl)methyl]pyridine
SMILES[2H]C([2H])(c1ccccc1)c1cc(-c2ccc3oc4ccccc4c3c2)ncc1C([2H])(C)c1ccccc1
InChIInChI=1S/C32H25NO/c1-22(24-12-6-3-7-13-24)29-21-33-30(20-26(29)18-23-10-4-2-5-11-23)25-16-17-32-28(19-25)27-14-8-9-15-31(27)34-32/h2-17,19-22H,18H2,1H3/i18D2,22D
InChIKeyBOUFKLCTZYNZBU-UUIZYSOQSA-N
MW442.58 g/mol
LogP8.39
Rot. Bonds5

About 5-(1-deuterio-1-phenylethyl)-2-dibenzofuran-2-yl-4-[dideuterio(phenyl)methyl]pyridine

5-(1-deuterio-1-phenylethyl)-2-dibenzofuran-2-yl-4-[dideuterio(phenyl)methyl]pyridine (PubChem CID 162710557) has the molecular formula C32H25NO and a molecular weight of 442.58 g/mol. Its IUPAC name is 5-(1-deuterio-1-phenylethyl)-2-dibenzofuran-2-yl-4-[dideuterio(phenyl)methyl]pyridine.

Molecular Properties

Compound Name5-(1-deuterio-1-phenylethyl)-2-dibenzofuran-2-yl-4-[dideuterio(phenyl)methyl]pyridine
PubChem CID162710557
Molecular FormulaC32H25NO
Molecular Weight442.58 g/mol
Exact Mass442.21
IUPAC Name5-(1-deuterio-1-phenylethyl)-2-dibenzofuran-2-yl-4-[dideuterio(phenyl)methyl]pyridine
SMILES[2H]C([2H])(c1ccccc1)c1cc(-c2ccc3oc4ccccc4c3c2)ncc1C([2H])(C)c1ccccc1
InChIInChI=1S/C32H25NO/c1-22(24-12-6-3-7-13-24)29-21-33-30(20-26(29)18-23-10-4-2-5-11-23)25-16-17-32-28(19-25)27-14-8-9-15-31(27)34-32/h2-17,19-22H,18H2,1H3/i18D2,22D
InChIKeyBOUFKLCTZYNZBU-UUIZYSOQSA-N
XLogP8.39
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.58
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[8-[dideuterio(phenyl)methyl]dibenzofuran-2-yl]isoquinoline
CID 162707832
(6-dibenzofuran-2-yl-3-pyridinyl)-methyl-diphenylsilane
CID 140719613
5-bromo-2-dibenzofuran-2-yl-4-phenylpyridine
CID 121367236
2-[4-(2-deuteriopropan-2-yl)phenyl]-4-[dideuterio(phenyl)methyl]-5-phenylpyridine
CID 162710408
4-(2-deuteriopropan-2-yl)-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 155611009
4-benzyl-2-(8-propan-2-yldibenzofuran-2-yl)pyridine
CID 162707121
2-[1-(1-deuterio-1-phenylethyl)dibenzofuran-4-yl]-5-phenyl-4-(trideuteriomethyl)pyridine
CID 162709912
5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine
CID 134531262
2-[8-(3-benzylphenyl)dibenzofuran-2-yl]-4-propan-2-ylpyridine
CID 169038662
2-[1-[dideuterio(phenyl)methyl]dibenzofuran-2-yl]-5-(trideuteriomethyl)pyridine
CID 162710400
2-(4-dibenzofuran-2-ylphenyl)-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
CID 147052468
4-methyl-2-[7-(1-phenylethyl)dibenzofuran-2-yl]pyridine
CID 162708112

Frequently Asked Questions

What is the IUPAC name of 5-(1-deuterio-1-phenylethyl)-2-dibenzofuran-2-yl-4-[dideuterio(phenyl)methyl]pyridine?
The IUPAC name of 5-(1-deuterio-1-phenylethyl)-2-dibenzofuran-2-yl-4-[dideuterio(phenyl)methyl]pyridine (CID 162710557) is 5-(1-deuterio-1-phenylethyl)-2-dibenzofuran-2-yl-4-[dideuterio(phenyl)methyl]pyridine.
What is the SMILES notation for 5-(1-deuterio-1-phenylethyl)-2-dibenzofuran-2-yl-4-[dideuterio(phenyl)methyl]pyridine?
The canonical SMILES for 5-(1-deuterio-1-phenylethyl)-2-dibenzofuran-2-yl-4-[dideuterio(phenyl)methyl]pyridine is [2H]C([2H])(c1ccccc1)c1cc(-c2ccc3oc4ccccc4c3c2)ncc1C([2H])(C)c1ccccc1.
What is the InChIKey of 5-(1-deuterio-1-phenylethyl)-2-dibenzofuran-2-yl-4-[dideuterio(phenyl)methyl]pyridine?
The InChIKey is BOUFKLCTZYNZBU-UUIZYSOQSA-N. The full InChI is InChI=1S/C32H25NO/c1-22(24-12-6-3-7-13-24)29-21-33-30(20-26(29)18-23-10-4-2-5-11-23)25-16-17-32-28(19-25)27-14-8-9-15-31(27)34-32/h2-17,19-22H,18H2,1H3/i18D2,22D.
What are the key properties of 5-(1-deuterio-1-phenylethyl)-2-dibenzofuran-2-yl-4-[dideuterio(phenyl)methyl]pyridine?
5-(1-deuterio-1-phenylethyl)-2-dibenzofuran-2-yl-4-[dideuterio(phenyl)methyl]pyridine has a molecular weight of 442.58 g/mol, XLogP of 8.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-deuterio-1-phenylethyl)-2-dibenzofuran-2-yl-4-[dideuterio(phenyl)methyl]pyridine is sourced from PubChem (CID 162710557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).