[4-[(benzhydrylidenehydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate

C29H24N2O4 — CID 5030022

IUPAC[4-[(benzhydrylidenehydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc(C=NN=C(c3ccccc3)c3ccccc3)cc2OC)cc1
InChIInChI=1S/C29H24N2O4/c1-33-25-16-14-24(15-17-25)29(32)35-26-18-13-21(19-27(26)34-2)20-30-31-28(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-20H,1-2H3
InChIKeyGMMIOYXDAYRUQH-UHFFFAOYSA-N
MW464.52 g/mol
LogP5.79
Rot. Bonds8

About [4-[(benzhydrylidenehydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate

[4-[(benzhydrylidenehydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate (PubChem CID 5030022) has the molecular formula C29H24N2O4 and a molecular weight of 464.52 g/mol. Its IUPAC name is [4-[(benzhydrylidenehydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[4-[(benzhydrylidenehydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate
PubChem CID5030022
Molecular FormulaC29H24N2O4
Molecular Weight464.52 g/mol
Exact Mass464.17
IUPAC Name[4-[(benzhydrylidenehydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc(C=NN=C(c3ccccc3)c3ccccc3)cc2OC)cc1
InChIInChI=1S/C29H24N2O4/c1-33-25-16-14-24(15-17-25)29(32)35-26-18-13-21(19-27(26)34-2)20-30-31-28(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-20H,1-2H3
InChIKeyGMMIOYXDAYRUQH-UHFFFAOYSA-N
XLogP5.79
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.52
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-[(Z)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 6114254
[4-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 6283140
[4-[(benzoylhydrazinylidene)methyl]-2-ethoxyphenyl] 4-methoxybenzoate
CID 4187043
[2-methoxy-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 1002031
[2-methoxy-4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 4248850
[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-butoxybenzoate
CID 4061810
[2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
CID 2690726
[4-[(2,6-dimethylpiperidin-1-yl)iminomethyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 23800450
[2-methoxy-4-[(Z)-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6301184
[4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 9023683
[4-[(E)-[[2-[(4-ethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 51061224
[2-methoxy-4-[(Z)-[(Z)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]methyl]phenyl] acetate
CID 8972472

Frequently Asked Questions

What is the IUPAC name of [4-[(benzhydrylidenehydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate?
The IUPAC name of [4-[(benzhydrylidenehydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate (CID 5030022) is [4-[(benzhydrylidenehydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate.
What is the SMILES notation for [4-[(benzhydrylidenehydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate?
The canonical SMILES for [4-[(benzhydrylidenehydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate is COc1ccc(C(=O)Oc2ccc(C=NN=C(c3ccccc3)c3ccccc3)cc2OC)cc1.
What is the InChIKey of [4-[(benzhydrylidenehydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate?
The InChIKey is GMMIOYXDAYRUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O4/c1-33-25-16-14-24(15-17-25)29(32)35-26-18-13-21(19-27(26)34-2)20-30-31-28(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-20H,1-2H3.
What are the key properties of [4-[(benzhydrylidenehydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate?
[4-[(benzhydrylidenehydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate has a molecular weight of 464.52 g/mol, XLogP of 5.79, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(benzhydrylidenehydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate is sourced from PubChem (CID 5030022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).