4-[(Z)-[[4-(4-fluorophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol

C23H17FN4O — CID 135403127

IUPAC4-[(Z)-[[4-(4-fluorophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol
SMILESOc1ccc(/C=N\Nc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C23H17FN4O/c24-19-10-8-18(9-11-19)22-14-21(17-4-2-1-3-5-17)26-23(27-22)28-25-15-16-6-12-20(29)13-7-16/h1-15,29H,(H,26,27,28)/b25-15-
InChIKeyZTXSGZSGMALTMH-MYYYXRDXSA-N
MW384.41 g/mol
LogP5.10
Rot. Bonds5

About 4-[(Z)-[[4-(4-fluorophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol

4-[(Z)-[[4-(4-fluorophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol (PubChem CID 135403127) has the molecular formula C23H17FN4O and a molecular weight of 384.41 g/mol. Its IUPAC name is 4-[(Z)-[[4-(4-fluorophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(Z)-[[4-(4-fluorophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol
PubChem CID135403127
Molecular FormulaC23H17FN4O
Molecular Weight384.41 g/mol
Exact Mass384.14
IUPAC Name4-[(Z)-[[4-(4-fluorophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol
SMILESOc1ccc(/C=N\Nc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C23H17FN4O/c24-19-10-8-18(9-11-19)22-14-21(17-4-2-1-3-5-17)26-23(27-22)28-25-15-16-6-12-20(29)13-7-16/h1-15,29H,(H,26,27,28)/b25-15-
InChIKeyZTXSGZSGMALTMH-MYYYXRDXSA-N
XLogP5.10
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.41
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(Z)-[[4-(4-fluorophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[6-(4-Hydroxyphenyl)-2-phenylpyrimidin-4-yl]phenol
CID 789621
4-[4-(4-Fluorophenyl)-2-pyrimidinyl]benzenol
CID 1479911
1-(4-Methoxyphenyl)ethanone (4-methyl-6-phenyl-2-pyrimidinyl)hydrazone
CID 5332849
1-(4-Hydroxyphenyl)ethanone (4-methyl-6-phenyl-2-pyrimidinyl)hydrazone
CID 135458773
4-{(E)-[2-(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl}benzene-1,3-diol
CID 135536508
3,4-Dihydroxybenzaldehyde (4,6-diphenyl-2-pyrimidinyl)(methyl)hydrazone
CID 135425028
(6E)-6-(2-hydrazinyl-4-phenyl-1H-pyrimidin-6-ylidene)cyclohexa-2,4-dien-1-one
CID 5217512
4-[2-[[2-(2,2-Diphenylethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]phenol
CID 44532334
4-(2-Amino-4-phenylpyrimidin-5-yl)phenol
CID 134153079
2-Hydroxybenzaldehyde [2-(2-hydroxyphenyl)-6-methyl-4-pyrimidinyl](methyl)hydrazone
CID 135403123
(E)-2-(4-(2-(2-hydroxybenzylidene)hydrazinyl)-6-methylpyrimidin-2-yl)phenol
CID 135443066
4-{[2-(2-Hydroxy-phenyl)-6-methyl-pyrimidin-4-yl]-hydrazonomethyl}-benzene-1,3-diol
CID 135443067

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[[4-(4-fluorophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(Z)-[[4-(4-fluorophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol (CID 135403127) is 4-[(Z)-[[4-(4-fluorophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(Z)-[[4-(4-fluorophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(Z)-[[4-(4-fluorophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol is Oc1ccc(/C=N\Nc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 4-[(Z)-[[4-(4-fluorophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol?
The InChIKey is ZTXSGZSGMALTMH-MYYYXRDXSA-N. The full InChI is InChI=1S/C23H17FN4O/c24-19-10-8-18(9-11-19)22-14-21(17-4-2-1-3-5-17)26-23(27-22)28-25-15-16-6-12-20(29)13-7-16/h1-15,29H,(H,26,27,28)/b25-15-.
What are the key properties of 4-[(Z)-[[4-(4-fluorophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol?
4-[(Z)-[[4-(4-fluorophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol has a molecular weight of 384.41 g/mol, XLogP of 5.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[[4-(4-fluorophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135403127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).