2-[6-[2,2-bis(4-fluorophenyl)-2-hydroxyethyl]-2-pyridinyl]-1,1-bis(4-fluorophenyl)ethanol

C33H25F4NO2 — CID 102372871

IUPAC2-[6-[2,2-bis(4-fluorophenyl)-2-hydroxyethyl]-2-pyridinyl]-1,1-bis(4-fluorophenyl)ethanol
SMILESOC(Cc1cccc(CC(O)(c2ccc(F)cc2)c2ccc(F)cc2)n1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C33H25F4NO2/c34-26-12-4-22(5-13-26)32(39,23-6-14-27(35)15-7-23)20-30-2-1-3-31(38-30)21-33(40,24-8-16-28(36)17-9-24)25-10-18-29(37)19-11-25/h1-19,39-40H,20-21H2
InChIKeyWBFIAJGUGXDARQ-UHFFFAOYSA-N
MW543.56 g/mol
LogP6.60
Rot. Bonds8

About 2-[6-[2,2-bis(4-fluorophenyl)-2-hydroxyethyl]-2-pyridinyl]-1,1-bis(4-fluorophenyl)ethanol

2-[6-[2,2-bis(4-fluorophenyl)-2-hydroxyethyl]-2-pyridinyl]-1,1-bis(4-fluorophenyl)ethanol (PubChem CID 102372871) has the molecular formula C33H25F4NO2 and a molecular weight of 543.56 g/mol. Its IUPAC name is 2-[6-[2,2-bis(4-fluorophenyl)-2-hydroxyethyl]-2-pyridinyl]-1,1-bis(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[6-[2,2-bis(4-fluorophenyl)-2-hydroxyethyl]-2-pyridinyl]-1,1-bis(4-fluorophenyl)ethanol
PubChem CID102372871
Molecular FormulaC33H25F4NO2
Molecular Weight543.56 g/mol
Exact Mass543.18
IUPAC Name2-[6-[2,2-bis(4-fluorophenyl)-2-hydroxyethyl]-2-pyridinyl]-1,1-bis(4-fluorophenyl)ethanol
SMILESOC(Cc1cccc(CC(O)(c2ccc(F)cc2)c2ccc(F)cc2)n1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C33H25F4NO2/c34-26-12-4-22(5-13-26)32(39,23-6-14-27(35)15-7-23)20-30-2-1-3-31(38-30)21-33(40,24-8-16-28(36)17-9-24)25-10-18-29(37)19-11-25/h1-19,39-40H,20-21H2
InChIKeyWBFIAJGUGXDARQ-UHFFFAOYSA-N
XLogP6.60
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.56
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

alpha,alpha-Diphenyl-2-pyridineethanol
CID 234268
2,6-Bis(3-hydroxyphenyl)-4-phenylpyridine
CID 46887181
3-(2,6-Diphenyl-4-pyridinyl)phenol
CID 46887217
3-[2,6-Bis(3-hydroxyphenyl)-4-pyridinyl]phenol
CID 118710766
2-[2,6-Bis(2-hydroxyphenyl)-4-pyridinyl]phenol
CID 137100803
2-[6-(2-Hydroxyphenyl)-4-(3-hydroxyphenyl)-2-pyridinyl]phenol
CID 137100804
3-[2-(3-Hydroxyphenyl)-6-phenyl-4-pyridinyl]phenol
CID 57382426
2-[6-(2-Hydroxyphenyl)-4-phenyl-2-pyridinyl]phenol
CID 135981233
4-[6-(4-Hydroxyphenyl)-4-phenyl-2-pyridinyl]phenol
CID 135981242
4-[4-(4-Fluorophenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol
CID 141068091
2,6-Bis(diphenylhydroxymethyl)piperidine
CID 94051
2-(6-Methylquinolin-2-yl)-1,1-diphenylethanol
CID 322067

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2,2-bis(4-fluorophenyl)-2-hydroxyethyl]-2-pyridinyl]-1,1-bis(4-fluorophenyl)ethanol?
The IUPAC name of 2-[6-[2,2-bis(4-fluorophenyl)-2-hydroxyethyl]-2-pyridinyl]-1,1-bis(4-fluorophenyl)ethanol (CID 102372871) is 2-[6-[2,2-bis(4-fluorophenyl)-2-hydroxyethyl]-2-pyridinyl]-1,1-bis(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-[6-[2,2-bis(4-fluorophenyl)-2-hydroxyethyl]-2-pyridinyl]-1,1-bis(4-fluorophenyl)ethanol?
The canonical SMILES for 2-[6-[2,2-bis(4-fluorophenyl)-2-hydroxyethyl]-2-pyridinyl]-1,1-bis(4-fluorophenyl)ethanol is OC(Cc1cccc(CC(O)(c2ccc(F)cc2)c2ccc(F)cc2)n1)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-[6-[2,2-bis(4-fluorophenyl)-2-hydroxyethyl]-2-pyridinyl]-1,1-bis(4-fluorophenyl)ethanol?
The InChIKey is WBFIAJGUGXDARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25F4NO2/c34-26-12-4-22(5-13-26)32(39,23-6-14-27(35)15-7-23)20-30-2-1-3-31(38-30)21-33(40,24-8-16-28(36)17-9-24)25-10-18-29(37)19-11-25/h1-19,39-40H,20-21H2.
What are the key properties of 2-[6-[2,2-bis(4-fluorophenyl)-2-hydroxyethyl]-2-pyridinyl]-1,1-bis(4-fluorophenyl)ethanol?
2-[6-[2,2-bis(4-fluorophenyl)-2-hydroxyethyl]-2-pyridinyl]-1,1-bis(4-fluorophenyl)ethanol has a molecular weight of 543.56 g/mol, XLogP of 6.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2,2-bis(4-fluorophenyl)-2-hydroxyethyl]-2-pyridinyl]-1,1-bis(4-fluorophenyl)ethanol is sourced from PubChem (CID 102372871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).