[6-(2-benzylphenyl)-4-(4-fluorophenyl)-2-propan-2-yl-3-pyridinyl]methanol

C28H26FNO — CID 15099526

IUPAC[6-(2-benzylphenyl)-4-(4-fluorophenyl)-2-propan-2-yl-3-pyridinyl]methanol
SMILESCC(C)c1nc(-c2ccccc2Cc2ccccc2)cc(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C28H26FNO/c1-19(2)28-26(18-31)25(21-12-14-23(29)15-13-21)17-27(30-28)24-11-7-6-10-22(24)16-20-8-4-3-5-9-20/h3-15,17,19,31H,16,18H2,1-2H3
InChIKeyYYBKWCWELHWTAZ-UHFFFAOYSA-N
MW411.52 g/mol
LogP6.76
Rot. Bonds6

About [6-(2-benzylphenyl)-4-(4-fluorophenyl)-2-propan-2-yl-3-pyridinyl]methanol

[6-(2-benzylphenyl)-4-(4-fluorophenyl)-2-propan-2-yl-3-pyridinyl]methanol (PubChem CID 15099526) has the molecular formula C28H26FNO and a molecular weight of 411.52 g/mol. Its IUPAC name is [6-(2-benzylphenyl)-4-(4-fluorophenyl)-2-propan-2-yl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(2-benzylphenyl)-4-(4-fluorophenyl)-2-propan-2-yl-3-pyridinyl]methanol
PubChem CID15099526
Molecular FormulaC28H26FNO
Molecular Weight411.52 g/mol
Exact Mass411.20
IUPAC Name[6-(2-benzylphenyl)-4-(4-fluorophenyl)-2-propan-2-yl-3-pyridinyl]methanol
SMILESCC(C)c1nc(-c2ccccc2Cc2ccccc2)cc(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C28H26FNO/c1-19(2)28-26(18-31)25(21-12-14-23(29)15-13-21)17-27(30-28)24-11-7-6-10-22(24)16-20-8-4-3-5-9-20/h3-15,17,19,31H,16,18H2,1-2H3
InChIKeyYYBKWCWELHWTAZ-UHFFFAOYSA-N
XLogP6.76
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.52
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4,6-Diphenyl-2-pyridinyl)phenol
CID 135838975
(+)-(1R)-1-[4-(4-fluorophenyl)-2,6-diisopropyl-5-propylpyridin-3-yl]ethanol
CID 9906120
[6-Fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]methanol
CID 10338613
(+)-2,6-Diisopropyl-3-(1-hydroxyethyl)-4-(4-fluorophenyl)-5-propylpyridine
CID 11186974
1-[4-(4-Fluoro-phenyl)-2,6-diisopropyl-5-pentyl-pyridin-3-yl]-ethanol
CID 22004872
(2,6-Diisopropyl-5-pentyl-4-p-tolyl-pyridin-3-yl)-methanol
CID 22004877
[5-Ethyl-4-(4-fluoro-phenyl)-2,6-diisopropyl-pyridin-3-yl]-methanol
CID 22004918
2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-pentylpyridine
CID 22004955
1-[4-(4-Fluoro-phenyl)-5-hexyl-2,6-diisopropyl-pyridin-3-yl]-ethanol
CID 22004988
2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-hexylpyridine
CID 22005015
2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-heptylpyridine
CID 22005069
[5-Butyl-4-(4-fluoro-phenyl)-2,6-diisopropyl-pyridin-3-yl]-methanol
CID 22005107

Frequently Asked Questions

What is the IUPAC name of [6-(2-benzylphenyl)-4-(4-fluorophenyl)-2-propan-2-yl-3-pyridinyl]methanol?
The IUPAC name of [6-(2-benzylphenyl)-4-(4-fluorophenyl)-2-propan-2-yl-3-pyridinyl]methanol (CID 15099526) is [6-(2-benzylphenyl)-4-(4-fluorophenyl)-2-propan-2-yl-3-pyridinyl]methanol.
What is the SMILES notation for [6-(2-benzylphenyl)-4-(4-fluorophenyl)-2-propan-2-yl-3-pyridinyl]methanol?
The canonical SMILES for [6-(2-benzylphenyl)-4-(4-fluorophenyl)-2-propan-2-yl-3-pyridinyl]methanol is CC(C)c1nc(-c2ccccc2Cc2ccccc2)cc(-c2ccc(F)cc2)c1CO.
What is the InChIKey of [6-(2-benzylphenyl)-4-(4-fluorophenyl)-2-propan-2-yl-3-pyridinyl]methanol?
The InChIKey is YYBKWCWELHWTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FNO/c1-19(2)28-26(18-31)25(21-12-14-23(29)15-13-21)17-27(30-28)24-11-7-6-10-22(24)16-20-8-4-3-5-9-20/h3-15,17,19,31H,16,18H2,1-2H3.
What are the key properties of [6-(2-benzylphenyl)-4-(4-fluorophenyl)-2-propan-2-yl-3-pyridinyl]methanol?
[6-(2-benzylphenyl)-4-(4-fluorophenyl)-2-propan-2-yl-3-pyridinyl]methanol has a molecular weight of 411.52 g/mol, XLogP of 6.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-benzylphenyl)-4-(4-fluorophenyl)-2-propan-2-yl-3-pyridinyl]methanol is sourced from PubChem (CID 15099526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).