4-[[2,6-bis(4-fluorophenyl)-4-pyridinyl]amino]phenol

C23H16F2N2O — CID 70954593

IUPAC4-[[2,6-bis(4-fluorophenyl)-4-pyridinyl]amino]phenol
SMILESOc1ccc(Nc2cc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C23H16F2N2O/c24-17-5-1-15(2-6-17)22-13-20(26-19-9-11-21(28)12-10-19)14-23(27-22)16-3-7-18(25)8-4-16/h1-14,28H,(H,26,27)
InChIKeyKAKBRGJISRQYBH-UHFFFAOYSA-N
MW374.39 g/mol
LogP6.14
Rot. Bonds4

About 4-[[2,6-bis(4-fluorophenyl)-4-pyridinyl]amino]phenol

4-[[2,6-bis(4-fluorophenyl)-4-pyridinyl]amino]phenol (PubChem CID 70954593) has the molecular formula C23H16F2N2O and a molecular weight of 374.39 g/mol. Its IUPAC name is 4-[[2,6-bis(4-fluorophenyl)-4-pyridinyl]amino]phenol.

Molecular Properties

Compound Name4-[[2,6-bis(4-fluorophenyl)-4-pyridinyl]amino]phenol
PubChem CID70954593
Molecular FormulaC23H16F2N2O
Molecular Weight374.39 g/mol
Exact Mass374.12
IUPAC Name4-[[2,6-bis(4-fluorophenyl)-4-pyridinyl]amino]phenol
SMILESOc1ccc(Nc2cc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C23H16F2N2O/c24-17-5-1-15(2-6-17)22-13-20(26-19-9-11-21(28)12-10-19)14-23(27-22)16-3-7-18(25)8-4-16/h1-14,28H,(H,26,27)
InChIKeyKAKBRGJISRQYBH-UHFFFAOYSA-N
XLogP6.14
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.39
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-4-pyridinyl]amino]phenol
CID 70954601
4-[[2-(4-fluorophenyl)quinolin-4-yl]amino]phenol
CID 10882081
1-N,3-N,5-N-tris(4-fluorophenyl)benzene-1,3,5-triamine
CID 14762541
4-[6-(4-fluorophenyl)-4-(4-nitrophenyl)-2-pyridinyl]phenol
CID 135409815
2-(4-fluorophenyl)-N-pyridin-4-ylpyridin-4-amine
CID 144881590
4-[6-(4-hydroxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]phenol
CID 136862136
2-(4-hydroxyanilino)-4-phenyl-1H-pyrimidin-6-one
CID 135460740
4-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]phenol
CID 135604711
4-[[5-fluoro-2-(4-fluoroanilino)pyrimidin-4-yl]amino]phenol
CID 90489150
4-fluorophenol;dihydrofluoride
CID 174753793
4-fluorophenol;zirconium
CID 74015831
4-(2,6-diphenyl-4-pyridinyl)phenol
CID 4640455

Frequently Asked Questions

What is the IUPAC name of 4-[[2,6-bis(4-fluorophenyl)-4-pyridinyl]amino]phenol?
The IUPAC name of 4-[[2,6-bis(4-fluorophenyl)-4-pyridinyl]amino]phenol (CID 70954593) is 4-[[2,6-bis(4-fluorophenyl)-4-pyridinyl]amino]phenol.
What is the SMILES notation for 4-[[2,6-bis(4-fluorophenyl)-4-pyridinyl]amino]phenol?
The canonical SMILES for 4-[[2,6-bis(4-fluorophenyl)-4-pyridinyl]amino]phenol is Oc1ccc(Nc2cc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)c2)cc1.
What is the InChIKey of 4-[[2,6-bis(4-fluorophenyl)-4-pyridinyl]amino]phenol?
The InChIKey is KAKBRGJISRQYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N2O/c24-17-5-1-15(2-6-17)22-13-20(26-19-9-11-21(28)12-10-19)14-23(27-22)16-3-7-18(25)8-4-16/h1-14,28H,(H,26,27).
What are the key properties of 4-[[2,6-bis(4-fluorophenyl)-4-pyridinyl]amino]phenol?
4-[[2,6-bis(4-fluorophenyl)-4-pyridinyl]amino]phenol has a molecular weight of 374.39 g/mol, XLogP of 6.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,6-bis(4-fluorophenyl)-4-pyridinyl]amino]phenol is sourced from PubChem (CID 70954593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).