4-fluoro-2-[4-(4-phenylphenyl)-6-pyridin-4-yl-2-pyridinyl]phenol

C28H19FN2O — CID 135423087

IUPAC4-fluoro-2-[4-(4-phenylphenyl)-6-pyridin-4-yl-2-pyridinyl]phenol
SMILESOc1ccc(F)cc1-c1cc(-c2ccc(-c3ccccc3)cc2)cc(-c2ccncc2)n1
InChIInChI=1S/C28H19FN2O/c29-24-10-11-28(32)25(18-24)27-17-23(16-26(31-27)22-12-14-30-15-13-22)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h1-18,32H
InChIKeyUYWLROFLRWUYIM-UHFFFAOYSA-N
MW418.47 g/mol
LogP6.99
Rot. Bonds4

About 4-fluoro-2-[4-(4-phenylphenyl)-6-pyridin-4-yl-2-pyridinyl]phenol

4-fluoro-2-[4-(4-phenylphenyl)-6-pyridin-4-yl-2-pyridinyl]phenol (PubChem CID 135423087) has the molecular formula C28H19FN2O and a molecular weight of 418.47 g/mol. Its IUPAC name is 4-fluoro-2-[4-(4-phenylphenyl)-6-pyridin-4-yl-2-pyridinyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[4-(4-phenylphenyl)-6-pyridin-4-yl-2-pyridinyl]phenol
PubChem CID135423087
Molecular FormulaC28H19FN2O
Molecular Weight418.47 g/mol
Exact Mass418.15
IUPAC Name4-fluoro-2-[4-(4-phenylphenyl)-6-pyridin-4-yl-2-pyridinyl]phenol
SMILESOc1ccc(F)cc1-c1cc(-c2ccc(-c3ccccc3)cc2)cc(-c2ccncc2)n1
InChIInChI=1S/C28H19FN2O/c29-24-10-11-28(32)25(18-24)27-17-23(16-26(31-27)22-12-14-30-15-13-22)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h1-18,32H
InChIKeyUYWLROFLRWUYIM-UHFFFAOYSA-N
XLogP6.99
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.47
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[4-(4-phenylphenyl)-6-pyridin-4-yl-2-pyridinyl]phenol?
The IUPAC name of 4-fluoro-2-[4-(4-phenylphenyl)-6-pyridin-4-yl-2-pyridinyl]phenol (CID 135423087) is 4-fluoro-2-[4-(4-phenylphenyl)-6-pyridin-4-yl-2-pyridinyl]phenol.
What is the SMILES notation for 4-fluoro-2-[4-(4-phenylphenyl)-6-pyridin-4-yl-2-pyridinyl]phenol?
The canonical SMILES for 4-fluoro-2-[4-(4-phenylphenyl)-6-pyridin-4-yl-2-pyridinyl]phenol is Oc1ccc(F)cc1-c1cc(-c2ccc(-c3ccccc3)cc2)cc(-c2ccncc2)n1.
What is the InChIKey of 4-fluoro-2-[4-(4-phenylphenyl)-6-pyridin-4-yl-2-pyridinyl]phenol?
The InChIKey is UYWLROFLRWUYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19FN2O/c29-24-10-11-28(32)25(18-24)27-17-23(16-26(31-27)22-12-14-30-15-13-22)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h1-18,32H.
What are the key properties of 4-fluoro-2-[4-(4-phenylphenyl)-6-pyridin-4-yl-2-pyridinyl]phenol?
4-fluoro-2-[4-(4-phenylphenyl)-6-pyridin-4-yl-2-pyridinyl]phenol has a molecular weight of 418.47 g/mol, XLogP of 6.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[4-(4-phenylphenyl)-6-pyridin-4-yl-2-pyridinyl]phenol is sourced from PubChem (CID 135423087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).