[6-[fluoro-bis[6-[hydroxy(phenyl)methyl]-2-pyridinyl]methyl]-2-pyridinyl]-phenylmethanol

C37H30FN3O3 — CID 58225082

IUPAC[6-[fluoro-bis[6-[hydroxy(phenyl)methyl]-2-pyridinyl]methyl]-2-pyridinyl]-phenylmethanol
SMILESOC(c1ccccc1)c1cccc(C(F)(c2cccc(C(O)c3ccccc3)n2)c2cccc(C(O)c3ccccc3)n2)n1
InChIInChI=1S/C37H30FN3O3/c38-37(31-22-10-19-28(39-31)34(42)25-13-4-1-5-14-25,32-23-11-20-29(40-32)35(43)26-15-6-2-7-16-26)33-24-12-21-30(41-33)36(44)27-17-8-3-9-18-27/h1-24,34-36,42-44H
InChIKeyXOMNTJOXUDCUSG-UHFFFAOYSA-N
MW583.66 g/mol
LogP6.38
Rot. Bonds9

About [6-[fluoro-bis[6-[hydroxy(phenyl)methyl]-2-pyridinyl]methyl]-2-pyridinyl]-phenylmethanol

[6-[fluoro-bis[6-[hydroxy(phenyl)methyl]-2-pyridinyl]methyl]-2-pyridinyl]-phenylmethanol (PubChem CID 58225082) has the molecular formula C37H30FN3O3 and a molecular weight of 583.66 g/mol. Its IUPAC name is [6-[fluoro-bis[6-[hydroxy(phenyl)methyl]-2-pyridinyl]methyl]-2-pyridinyl]-phenylmethanol.

Molecular Properties

Compound Name[6-[fluoro-bis[6-[hydroxy(phenyl)methyl]-2-pyridinyl]methyl]-2-pyridinyl]-phenylmethanol
PubChem CID58225082
Molecular FormulaC37H30FN3O3
Molecular Weight583.66 g/mol
Exact Mass583.23
IUPAC Name[6-[fluoro-bis[6-[hydroxy(phenyl)methyl]-2-pyridinyl]methyl]-2-pyridinyl]-phenylmethanol
SMILESOC(c1ccccc1)c1cccc(C(F)(c2cccc(C(O)c3ccccc3)n2)c2cccc(C(O)c3ccccc3)n2)n1
InChIInChI=1S/C37H30FN3O3/c38-37(31-22-10-19-28(39-31)34(42)25-13-4-1-5-14-25,32-23-11-20-29(40-32)35(43)26-15-6-2-7-16-26)33-24-12-21-30(41-33)36(44)27-17-8-3-9-18-27/h1-24,34-36,42-44H
InChIKeyXOMNTJOXUDCUSG-UHFFFAOYSA-N
XLogP6.38
TPSA99.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.66
LogP ≤ 56.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-Bis(diphenylhydroxymethyl)piperidine
CID 94051
1,1'-(Pyridine-2,6-diyl)bis(1,2-diphenylethan-1-ol)
CID 94052
2,6-Bis(dibenzylhydroxymethyl)piperidines
CID 94053
2-Quinolinemethanol, alpha-((4-phenyl-1-piperazinyl)methyl)-
CID 3080011
1-Acridin-9-yl-2-piperidin-1-ylethanol
CID 428640
1-[2,6-Bis(4-fluorophenyl)-4-pyridinyl]-2-(diheptylamino)ethanol
CID 90669350
[3-(4-Fluorophenyl)quinolin-2-yl]-phenylmethanol
CID 90670600
[6-Fluoro-3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanol
CID 90670601
(R)-(4-fluorophenyl)-quinolin-2-ylmethanol
CID 95032993
(R)-(2-fluorophenyl)-quinolin-2-ylmethanol
CID 95032999
2-[6-[2,2-Bis(4-fluorophenyl)-2-hydroxyethyl]-2-pyridinyl]-1,1-bis(4-fluorophenyl)ethanol
CID 102372871
(R)-(3-fluorophenyl)-quinolin-2-ylmethanol
CID 154713838

Frequently Asked Questions

What is the IUPAC name of [6-[fluoro-bis[6-[hydroxy(phenyl)methyl]-2-pyridinyl]methyl]-2-pyridinyl]-phenylmethanol?
The IUPAC name of [6-[fluoro-bis[6-[hydroxy(phenyl)methyl]-2-pyridinyl]methyl]-2-pyridinyl]-phenylmethanol (CID 58225082) is [6-[fluoro-bis[6-[hydroxy(phenyl)methyl]-2-pyridinyl]methyl]-2-pyridinyl]-phenylmethanol.
What is the SMILES notation for [6-[fluoro-bis[6-[hydroxy(phenyl)methyl]-2-pyridinyl]methyl]-2-pyridinyl]-phenylmethanol?
The canonical SMILES for [6-[fluoro-bis[6-[hydroxy(phenyl)methyl]-2-pyridinyl]methyl]-2-pyridinyl]-phenylmethanol is OC(c1ccccc1)c1cccc(C(F)(c2cccc(C(O)c3ccccc3)n2)c2cccc(C(O)c3ccccc3)n2)n1.
What is the InChIKey of [6-[fluoro-bis[6-[hydroxy(phenyl)methyl]-2-pyridinyl]methyl]-2-pyridinyl]-phenylmethanol?
The InChIKey is XOMNTJOXUDCUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30FN3O3/c38-37(31-22-10-19-28(39-31)34(42)25-13-4-1-5-14-25,32-23-11-20-29(40-32)35(43)26-15-6-2-7-16-26)33-24-12-21-30(41-33)36(44)27-17-8-3-9-18-27/h1-24,34-36,42-44H.
What are the key properties of [6-[fluoro-bis[6-[hydroxy(phenyl)methyl]-2-pyridinyl]methyl]-2-pyridinyl]-phenylmethanol?
[6-[fluoro-bis[6-[hydroxy(phenyl)methyl]-2-pyridinyl]methyl]-2-pyridinyl]-phenylmethanol has a molecular weight of 583.66 g/mol, XLogP of 6.38, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[fluoro-bis[6-[hydroxy(phenyl)methyl]-2-pyridinyl]methyl]-2-pyridinyl]-phenylmethanol is sourced from PubChem (CID 58225082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).