4-bromo-2-[(Z)-[[4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol

C22H16Br2N6O2 — CID 136816742

IUPAC4-bromo-2-[(Z)-[[4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
SMILESOc1ccc(Br)cc1/C=N\Nc1nnc(N/N=C\c2cc(Br)ccc2O)c2ccccc12
InChIInChI=1S/C22H16Br2N6O2/c23-15-5-7-19(31)13(9-15)11-25-27-21-17-3-1-2-4-18(17)22(30-29-21)28-26-12-14-10-16(24)6-8-20(14)32/h1-12,31-32H,(H,27,29)(H,28,30)/b25-11-,26-12-
InChIKeyFAWNYOZYTXLRLT-RSKRUZOQSA-N
MW556.22 g/mol
LogP5.46
Rot. Bonds6

About 4-bromo-2-[(Z)-[[4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol

4-bromo-2-[(Z)-[[4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol (PubChem CID 136816742) has the molecular formula C22H16Br2N6O2 and a molecular weight of 556.22 g/mol. Its IUPAC name is 4-bromo-2-[(Z)-[[4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(Z)-[[4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
PubChem CID136816742
Molecular FormulaC22H16Br2N6O2
Molecular Weight556.22 g/mol
Exact Mass553.97
IUPAC Name4-bromo-2-[(Z)-[[4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
SMILESOc1ccc(Br)cc1/C=N\Nc1nnc(N/N=C\c2cc(Br)ccc2O)c2ccccc12
InChIInChI=1S/C22H16Br2N6O2/c23-15-5-7-19(31)13(9-15)11-25-27-21-17-3-1-2-4-18(17)22(30-29-21)28-26-12-14-10-16(24)6-8-20(14)32/h1-12,31-32H,(H,27,29)(H,28,30)/b25-11-,26-12-
InChIKeyFAWNYOZYTXLRLT-RSKRUZOQSA-N
XLogP5.46
TPSA115.02 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.22
LogP ≤ 55.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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-bromo-2-[(E)-[[4-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
CID 135509570
4-chloro-2-[(E)-[[4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
CID 135508919
4-bromo-2-[(Z)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol
CID 135504385
2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 135822277
N-[(2-bromophenyl)methylideneamino]-4-chlorophthalazin-1-amine
CID 1385516
5-[(phthalazin-1-ylhydrazinylidene)methyl]benzene-1,2,4-triol
CID 140599283
3-[(E)-[[4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
CID 92856506
4-bromo-2-[(E)-[[6-(2-methylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazinylidene]methyl]phenol
CID 135479776
[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 135521536
5-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 135412297
4-bromo-2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 2845153
4-bromo-2-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 135576325

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(Z)-[[4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 4-bromo-2-[(Z)-[[4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol (CID 136816742) is 4-bromo-2-[(Z)-[[4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-bromo-2-[(Z)-[[4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-bromo-2-[(Z)-[[4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol is Oc1ccc(Br)cc1/C=N\Nc1nnc(N/N=C\c2cc(Br)ccc2O)c2ccccc12.
What is the InChIKey of 4-bromo-2-[(Z)-[[4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol?
The InChIKey is FAWNYOZYTXLRLT-RSKRUZOQSA-N. The full InChI is InChI=1S/C22H16Br2N6O2/c23-15-5-7-19(31)13(9-15)11-25-27-21-17-3-1-2-4-18(17)22(30-29-21)28-26-12-14-10-16(24)6-8-20(14)32/h1-12,31-32H,(H,27,29)(H,28,30)/b25-11-,26-12-.
What are the key properties of 4-bromo-2-[(Z)-[[4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol?
4-bromo-2-[(Z)-[[4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol has a molecular weight of 556.22 g/mol, XLogP of 5.46, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(Z)-[[4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 136816742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).