4-[1-deuterio-1-(4-fluorophenyl)ethyl]-2-dibenzofuran-4-ylpyridine

C25H18FNO — CID 177279356

IUPAC4-[1-deuterio-1-(4-fluorophenyl)ethyl]-2-dibenzofuran-4-ylpyridine
SMILES[2H]C(C)(c1ccc(F)cc1)c1ccnc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C25H18FNO/c1-16(17-9-11-19(26)12-10-17)18-13-14-27-23(15-18)22-7-4-6-21-20-5-2-3-8-24(20)28-25(21)22/h2-16H,1H3/i16D
InChIKeyNZYOPGIAOCOPAY-QNLPYAOMSA-N
MW368.43 g/mol
LogP6.94
Rot. Bonds3

About 4-[1-deuterio-1-(4-fluorophenyl)ethyl]-2-dibenzofuran-4-ylpyridine

4-[1-deuterio-1-(4-fluorophenyl)ethyl]-2-dibenzofuran-4-ylpyridine (PubChem CID 177279356) has the molecular formula C25H18FNO and a molecular weight of 368.43 g/mol. Its IUPAC name is 4-[1-deuterio-1-(4-fluorophenyl)ethyl]-2-dibenzofuran-4-ylpyridine.

Molecular Properties

Compound Name4-[1-deuterio-1-(4-fluorophenyl)ethyl]-2-dibenzofuran-4-ylpyridine
PubChem CID177279356
Molecular FormulaC25H18FNO
Molecular Weight368.43 g/mol
Exact Mass368.14
IUPAC Name4-[1-deuterio-1-(4-fluorophenyl)ethyl]-2-dibenzofuran-4-ylpyridine
SMILES[2H]C(C)(c1ccc(F)cc1)c1ccnc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C25H18FNO/c1-16(17-9-11-19(26)12-10-17)18-13-14-27-23(15-18)22-7-4-6-21-20-5-2-3-8-24(20)28-25(21)22/h2-16H,1H3/i16D
InChIKeyNZYOPGIAOCOPAY-QNLPYAOMSA-N
XLogP6.94
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.43
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[7-(1-deuterio-1-phenylethyl)dibenzofuran-4-yl]-4-(2-deuteriopropan-2-yl)pyridine
CID 162708190
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331
2-dibenzofuran-4-yl-4-(1-phenylethyl)pyridine
CID 162707337
4-propan-2-yl-2-(7-propan-2-yldibenzofuran-4-yl)pyridine
CID 140607533
2-(7-tert-butyldibenzofuran-4-yl)-4-(2-deuteriopropan-2-yl)pyridine
CID 165169386
4-(2-deuteriopropan-2-yl)-2-[7-(4-fluorophenyl)-6-(trideuteriomethyl)dibenzofuran-4-yl]pyridine
CID 166574628
2-[7-(4-fluorophenyl)-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine
CID 166576213
4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-4-yl)pyridine
CID 166575304
2-dibenzofuran-4-yl-5-(4-fluorophenyl)pyridine
CID 166564112
4-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
CID 90140758
2-dibenzofuran-4-yl-5-propan-2-ylpyridine
CID 71236317
2-dibenzofuran-4-ylpyridine
CID 59500175

Frequently Asked Questions

What is the IUPAC name of 4-[1-deuterio-1-(4-fluorophenyl)ethyl]-2-dibenzofuran-4-ylpyridine?
The IUPAC name of 4-[1-deuterio-1-(4-fluorophenyl)ethyl]-2-dibenzofuran-4-ylpyridine (CID 177279356) is 4-[1-deuterio-1-(4-fluorophenyl)ethyl]-2-dibenzofuran-4-ylpyridine.
What is the SMILES notation for 4-[1-deuterio-1-(4-fluorophenyl)ethyl]-2-dibenzofuran-4-ylpyridine?
The canonical SMILES for 4-[1-deuterio-1-(4-fluorophenyl)ethyl]-2-dibenzofuran-4-ylpyridine is [2H]C(C)(c1ccc(F)cc1)c1ccnc(-c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of 4-[1-deuterio-1-(4-fluorophenyl)ethyl]-2-dibenzofuran-4-ylpyridine?
The InChIKey is NZYOPGIAOCOPAY-QNLPYAOMSA-N. The full InChI is InChI=1S/C25H18FNO/c1-16(17-9-11-19(26)12-10-17)18-13-14-27-23(15-18)22-7-4-6-21-20-5-2-3-8-24(20)28-25(21)22/h2-16H,1H3/i16D.
What are the key properties of 4-[1-deuterio-1-(4-fluorophenyl)ethyl]-2-dibenzofuran-4-ylpyridine?
4-[1-deuterio-1-(4-fluorophenyl)ethyl]-2-dibenzofuran-4-ylpyridine has a molecular weight of 368.43 g/mol, XLogP of 6.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-deuterio-1-(4-fluorophenyl)ethyl]-2-dibenzofuran-4-ylpyridine is sourced from PubChem (CID 177279356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).