4-bromo-2-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]phenol

C24H19BrN4O — CID 135421596

IUPAC4-bromo-2-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]phenol
SMILESCN(/N=C\c1cc(Br)ccc1O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C24H19BrN4O/c1-29(26-16-19-14-20(25)12-13-23(19)30)24-27-21(17-8-4-2-5-9-17)15-22(28-24)18-10-6-3-7-11-18/h2-16,30H,1H3/b26-16-
InChIKeyWGHZEOAKBMZFHW-QQXSKIMKSA-N
MW459.35 g/mol
LogP5.75
Rot. Bonds5

About 4-bromo-2-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]phenol

4-bromo-2-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]phenol (PubChem CID 135421596) has the molecular formula C24H19BrN4O and a molecular weight of 459.35 g/mol. Its IUPAC name is 4-bromo-2-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]phenol
PubChem CID135421596
Molecular FormulaC24H19BrN4O
Molecular Weight459.35 g/mol
Exact Mass458.07
IUPAC Name4-bromo-2-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]phenol
SMILESCN(/N=C\c1cc(Br)ccc1O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C24H19BrN4O/c1-29(26-16-19-14-20(25)12-13-23(19)30)24-27-21(17-8-4-2-5-9-17)15-22(28-24)18-10-6-3-7-11-18/h2-16,30H,1H3/b26-16-
InChIKeyWGHZEOAKBMZFHW-QQXSKIMKSA-N
XLogP5.75
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.35
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-bromophenyl)-N-[(2-chlorophenyl)methylideneamino]-N-methyl-6-phenylpyrimidin-2-amine
CID 2843777
4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,2-diol;ethene
CID 145418854
N-[(E)-(2-fluorophenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine
CID 5338840
4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2-methoxyphenol
CID 137251415
N-[(2,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine
CID 2837790
bis(4-bromo-2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol);nickel
CID 135539795
4-bromo-2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 2845153
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135549826
2-[(E)-[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol
CID 135443156
4-bromo-2-[(E)-[1-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol
CID 135549450
4-[[2-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]-2-methylhydrazinyl]methyl]-2-methoxyphenol
CID 154606219
2-[(E)-[[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4-bromophenol
CID 135615119

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]phenol?
The IUPAC name of 4-bromo-2-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]phenol (CID 135421596) is 4-bromo-2-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-bromo-2-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]phenol?
The canonical SMILES for 4-bromo-2-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]phenol is CN(/N=C\c1cc(Br)ccc1O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of 4-bromo-2-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]phenol?
The InChIKey is WGHZEOAKBMZFHW-QQXSKIMKSA-N. The full InChI is InChI=1S/C24H19BrN4O/c1-29(26-16-19-14-20(25)12-13-23(19)30)24-27-21(17-8-4-2-5-9-17)15-22(28-24)18-10-6-3-7-11-18/h2-16,30H,1H3/b26-16-.
What are the key properties of 4-bromo-2-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]phenol?
4-bromo-2-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]phenol has a molecular weight of 459.35 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]phenol is sourced from PubChem (CID 135421596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).