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

C22H16Cl2N6O2 — CID 135508919

IUPAC4-chloro-2-[(E)-[[4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/Nc1nnc(N/N=C/c2cc(Cl)ccc2O)c2ccccc12
InChIInChI=1S/C22H16Cl2N6O2/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+
InChIKeyLYNRRHLPROYOSF-KOZSXFMUSA-N
MW467.32 g/mol
LogP5.24
Rot. Bonds6

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

4-chloro-2-[(E)-[[4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol (PubChem CID 135508919) has the molecular formula C22H16Cl2N6O2 and a molecular weight of 467.32 g/mol. Its IUPAC name is 4-chloro-2-[(E)-[[4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(E)-[[4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
PubChem CID135508919
Molecular FormulaC22H16Cl2N6O2
Molecular Weight467.32 g/mol
Exact Mass466.07
IUPAC Name4-chloro-2-[(E)-[[4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/Nc1nnc(N/N=C/c2cc(Cl)ccc2O)c2ccccc12
InChIInChI=1S/C22H16Cl2N6O2/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+
InChIKeyLYNRRHLPROYOSF-KOZSXFMUSA-N
XLogP5.24
TPSA115.02 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.32
LogP ≤ 55.24
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-bromo-2-[(Z)-[[4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
CID 136816742
4-chloro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 135684788
4-chloro-2-[(E)-[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol
CID 135537125
4-chloro-N-[(3-chlorophenyl)methylideneamino]phthalazin-1-amine
CID 1386432
N-[(2-bromophenyl)methylideneamino]-4-chlorophthalazin-1-amine
CID 1385516
5-[(phthalazin-1-ylhydrazinylidene)methyl]benzene-1,2,4-triol
CID 140599283
2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 135729404
1,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea
CID 135527074
3-[(E)-[[4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
CID 92856506
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135641867
2-[(E)-[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4-chlorophenol
CID 135531648

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(E)-[[4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 4-chloro-2-[(E)-[[4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol (CID 135508919) is 4-chloro-2-[(E)-[[4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-chloro-2-[(E)-[[4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-chloro-2-[(E)-[[4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol is Oc1ccc(Cl)cc1/C=N/Nc1nnc(N/N=C/c2cc(Cl)ccc2O)c2ccccc12.
What is the InChIKey of 4-chloro-2-[(E)-[[4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol?
The InChIKey is LYNRRHLPROYOSF-KOZSXFMUSA-N. The full InChI is InChI=1S/C22H16Cl2N6O2/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-chloro-2-[(E)-[[4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol?
4-chloro-2-[(E)-[[4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol has a molecular weight of 467.32 g/mol, XLogP of 5.24, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-[[4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135508919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).