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

C23H17FN4O — CID 2837833

IUPAC4-[[[4-(4-fluorophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol
SMILESOc1ccc(C=NNc2nc(-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)
InChIKeyZTXSGZSGMALTMH-UHFFFAOYSA-N
MW384.41 g/mol
LogP5.10
Rot. Bonds5

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

4-[[[4-(4-fluorophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol (PubChem CID 2837833) has the molecular formula C23H17FN4O and a molecular weight of 384.41 g/mol. Its IUPAC name is 4-[[[4-(4-fluorophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[[[4-(4-fluorophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol
PubChem CID2837833
Molecular FormulaC23H17FN4O
Molecular Weight384.41 g/mol
Exact Mass384.14
IUPAC Name4-[[[4-(4-fluorophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol
SMILESOc1ccc(C=NNc2nc(-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)
InChIKeyZTXSGZSGMALTMH-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(4-fluorophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[[[4-(4-fluorophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol (CID 2837833) is 4-[[[4-(4-fluorophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[[[4-(4-fluorophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[[[4-(4-fluorophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol is Oc1ccc(C=NNc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 4-[[[4-(4-fluorophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol?
The InChIKey is ZTXSGZSGMALTMH-UHFFFAOYSA-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).
What are the key properties of 4-[[[4-(4-fluorophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol?
4-[[[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-[[[4-(4-fluorophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 2837833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).