[4-[[[6-[2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-6-oxohexanoyl]hydrazinylidene]methyl]phenyl] benzoate

C34H30N4O6 — CID 4631127

IUPAC[4-[[[6-[2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-6-oxohexanoyl]hydrazinylidene]methyl]phenyl] benzoate
SMILESO=C(CCCCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1)NN=Cc1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C34H30N4O6/c39-31(37-35-23-25-15-19-29(20-16-25)43-33(41)27-9-3-1-4-10-27)13-7-8-14-32(40)38-36-24-26-17-21-30(22-18-26)44-34(42)28-11-5-2-6-12-28/h1-6,9-12,15-24H,7-8,13-14H2,(H,37,39)(H,38,40)
InChIKeyBMKCVOPIVDWKAN-UHFFFAOYSA-N
MW590.64 g/mol
LogP5.29
Rot. Bonds13

About [4-[[[6-[2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-6-oxohexanoyl]hydrazinylidene]methyl]phenyl] benzoate

[4-[[[6-[2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-6-oxohexanoyl]hydrazinylidene]methyl]phenyl] benzoate (PubChem CID 4631127) has the molecular formula C34H30N4O6 and a molecular weight of 590.64 g/mol. Its IUPAC name is [4-[[[6-[2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-6-oxohexanoyl]hydrazinylidene]methyl]phenyl] benzoate.

Molecular Properties

Compound Name[4-[[[6-[2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-6-oxohexanoyl]hydrazinylidene]methyl]phenyl] benzoate
PubChem CID4631127
Molecular FormulaC34H30N4O6
Molecular Weight590.64 g/mol
Exact Mass590.22
IUPAC Name[4-[[[6-[2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-6-oxohexanoyl]hydrazinylidene]methyl]phenyl] benzoate
SMILESO=C(CCCCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1)NN=Cc1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C34H30N4O6/c39-31(37-35-23-25-15-19-29(20-16-25)43-33(41)27-9-3-1-4-10-27)13-7-8-14-32(40)38-36-24-26-17-21-30(22-18-26)44-34(42)28-11-5-2-6-12-28/h1-6,9-12,15-24H,7-8,13-14H2,(H,37,39)(H,38,40)
InChIKeyBMKCVOPIVDWKAN-UHFFFAOYSA-N
XLogP5.29
TPSA135.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.64
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[[[6-[2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-6-oxohexanoyl]hydrazinylidene]methyl]phenyl] benzoate with MolForge

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Related Compounds

[4-[(Z)-(octadecanoylhydrazinylidene)methyl]phenyl] benzoate
CID 98298326
[4-[(heptanoylhydrazinylidene)methyl]phenyl] benzoate
CID 3690699
[4-[(Z)-[[3-[(2Z)-2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-3-oxopropanoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6088439
[4-[(E)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 51060557
[4-[(3-phenylpropanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 3536655
[4-[(E)-[4-(2,4-dichlorophenoxy)butanoylhydrazinylidene]methyl]phenyl] benzoate
CID 44791031
[4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6271641
[2-[[[8-[2-[(2-benzoyloxyphenyl)methylidene]hydrazinyl]-8-oxooctanoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 3282649
[4-[[[2-(4-methylanilino)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 1202103
[4-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] 4-bromobenzoate
CID 6380374
[4-[(dodecanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 3458071
[4-[(hexadecanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 75609861

Frequently Asked Questions

What is the IUPAC name of [4-[[[6-[2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-6-oxohexanoyl]hydrazinylidene]methyl]phenyl] benzoate?
The IUPAC name of [4-[[[6-[2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-6-oxohexanoyl]hydrazinylidene]methyl]phenyl] benzoate (CID 4631127) is [4-[[[6-[2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-6-oxohexanoyl]hydrazinylidene]methyl]phenyl] benzoate.
What is the SMILES notation for [4-[[[6-[2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-6-oxohexanoyl]hydrazinylidene]methyl]phenyl] benzoate?
The canonical SMILES for [4-[[[6-[2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-6-oxohexanoyl]hydrazinylidene]methyl]phenyl] benzoate is O=C(CCCCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1)NN=Cc1ccc(OC(=O)c2ccccc2)cc1.
What is the InChIKey of [4-[[[6-[2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-6-oxohexanoyl]hydrazinylidene]methyl]phenyl] benzoate?
The InChIKey is BMKCVOPIVDWKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N4O6/c39-31(37-35-23-25-15-19-29(20-16-25)43-33(41)27-9-3-1-4-10-27)13-7-8-14-32(40)38-36-24-26-17-21-30(22-18-26)44-34(42)28-11-5-2-6-12-28/h1-6,9-12,15-24H,7-8,13-14H2,(H,37,39)(H,38,40).
What are the key properties of [4-[[[6-[2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-6-oxohexanoyl]hydrazinylidene]methyl]phenyl] benzoate?
[4-[[[6-[2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-6-oxohexanoyl]hydrazinylidene]methyl]phenyl] benzoate has a molecular weight of 590.64 g/mol, XLogP of 5.29, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[6-[2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-6-oxohexanoyl]hydrazinylidene]methyl]phenyl] benzoate is sourced from PubChem (CID 4631127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).