methyl 4-(4-ethylphenyl)-2-(fluoren-9-ylidenehydrazinylidene)-4-oxobutanoate

C26H22N2O3 — CID 90934924

IUPACmethyl 4-(4-ethylphenyl)-2-(fluoren-9-ylidenehydrazinylidene)-4-oxobutanoate
SMILESCCc1ccc(C(=O)CC(=NN=C2c3ccccc3-c3ccccc32)C(=O)OC)cc1
InChIInChI=1S/C26H22N2O3/c1-3-17-12-14-18(15-13-17)24(29)16-23(26(30)31-2)27-28-25-21-10-6-4-8-19(21)20-9-5-7-11-22(20)25/h4-15H,3,16H2,1-2H3
InChIKeyYXQKNRLIZPRRKU-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.87
Rot. Bonds6

About methyl 4-(4-ethylphenyl)-2-(fluoren-9-ylidenehydrazinylidene)-4-oxobutanoate

methyl 4-(4-ethylphenyl)-2-(fluoren-9-ylidenehydrazinylidene)-4-oxobutanoate (PubChem CID 90934924) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is methyl 4-(4-ethylphenyl)-2-(fluoren-9-ylidenehydrazinylidene)-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-(4-ethylphenyl)-2-(fluoren-9-ylidenehydrazinylidene)-4-oxobutanoate
PubChem CID90934924
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC Namemethyl 4-(4-ethylphenyl)-2-(fluoren-9-ylidenehydrazinylidene)-4-oxobutanoate
SMILESCCc1ccc(C(=O)CC(=NN=C2c3ccccc3-c3ccccc32)C(=O)OC)cc1
InChIInChI=1S/C26H22N2O3/c1-3-17-12-14-18(15-13-17)24(29)16-23(26(30)31-2)27-28-25-21-10-6-4-8-19(21)20-9-5-7-11-22(20)25/h4-15H,3,16H2,1-2H3
InChIKeyYXQKNRLIZPRRKU-UHFFFAOYSA-N
XLogP4.87
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Acetone, DAIH derivative
CID 6507968
Methyl 2-(benzhydrylidenehydrazinylidene)-4-(4-fluorophenyl)-4-oxobutanoate
CID 91010792
Methyl 2-[bis(4-methylphenyl)methylidenehydrazinylidene]-4-(4-fluorophenyl)-4-oxobutanoate
CID 91521226
Fluoren-9-ylideneazamethyl 4-methylbenzoate
CID 2189578
methyl (2E)-2-(benzhydrylidenehydrazinylidene)-3-(4-methylbenzoyl)-4-oxobut-3-enoate
CID 101736505
Methyl 2-[2-(4-acetylphenyl)phenyl]-2-diazoacetate
CID 139254065
2-(2,2-Diphenylacetyl)-3-(propan-2-ylidenehydrazinylidene)inden-1-one
CID 223898
(3Z)-2-(2,2-diphenylacetyl)-3-(propan-2-ylidenehydrazinylidene)inden-1-one
CID 5354516
8-[1-(4-methylphenyl)ethylidenehydrazinylidene]-8aH-fluoren-9-one
CID 87747272
Methyl 4-(2,4-dimethylphenyl)-2-(fluoren-9-ylidenehydrazinylidene)-4-oxobutanoate
CID 90717509
Methyl 2-(fluoren-9-ylidenehydrazinylidene)-4-(2-methylphenyl)-4-oxobutanoate
CID 90827280
Methyl 4-(4-butylphenyl)-2-(fluoren-9-ylidenehydrazinylidene)-4-oxobutanoate
CID 90858584

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-ethylphenyl)-2-(fluoren-9-ylidenehydrazinylidene)-4-oxobutanoate?
The IUPAC name of methyl 4-(4-ethylphenyl)-2-(fluoren-9-ylidenehydrazinylidene)-4-oxobutanoate (CID 90934924) is methyl 4-(4-ethylphenyl)-2-(fluoren-9-ylidenehydrazinylidene)-4-oxobutanoate.
What is the SMILES notation for methyl 4-(4-ethylphenyl)-2-(fluoren-9-ylidenehydrazinylidene)-4-oxobutanoate?
The canonical SMILES for methyl 4-(4-ethylphenyl)-2-(fluoren-9-ylidenehydrazinylidene)-4-oxobutanoate is CCc1ccc(C(=O)CC(=NN=C2c3ccccc3-c3ccccc32)C(=O)OC)cc1.
What is the InChIKey of methyl 4-(4-ethylphenyl)-2-(fluoren-9-ylidenehydrazinylidene)-4-oxobutanoate?
The InChIKey is YXQKNRLIZPRRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3/c1-3-17-12-14-18(15-13-17)24(29)16-23(26(30)31-2)27-28-25-21-10-6-4-8-19(21)20-9-5-7-11-22(20)25/h4-15H,3,16H2,1-2H3.
What are the key properties of methyl 4-(4-ethylphenyl)-2-(fluoren-9-ylidenehydrazinylidene)-4-oxobutanoate?
methyl 4-(4-ethylphenyl)-2-(fluoren-9-ylidenehydrazinylidene)-4-oxobutanoate has a molecular weight of 410.47 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-ethylphenyl)-2-(fluoren-9-ylidenehydrazinylidene)-4-oxobutanoate is sourced from PubChem (CID 90934924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).