methyl 4-(2,4-dimethylphenyl)-2-(fluoren-9-ylidenehydrazinylidene)-4-oxobutanoate

C26H22N2O3 — CID 90717509

IUPACmethyl 4-(2,4-dimethylphenyl)-2-(fluoren-9-ylidenehydrazinylidene)-4-oxobutanoate
SMILESCOC(=O)C(CC(=O)c1ccc(C)cc1C)=NN=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H22N2O3/c1-16-12-13-18(17(2)14-16)24(29)15-23(26(30)31-3)27-28-25-21-10-6-4-8-19(21)20-9-5-7-11-22(20)25/h4-14H,15H2,1-3H3
InChIKeyILIDYQCANNCUTO-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.92
Rot. Bonds5

About methyl 4-(2,4-dimethylphenyl)-2-(fluoren-9-ylidenehydrazinylidene)-4-oxobutanoate

methyl 4-(2,4-dimethylphenyl)-2-(fluoren-9-ylidenehydrazinylidene)-4-oxobutanoate (PubChem CID 90717509) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is methyl 4-(2,4-dimethylphenyl)-2-(fluoren-9-ylidenehydrazinylidene)-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-(2,4-dimethylphenyl)-2-(fluoren-9-ylidenehydrazinylidene)-4-oxobutanoate
PubChem CID90717509
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC Namemethyl 4-(2,4-dimethylphenyl)-2-(fluoren-9-ylidenehydrazinylidene)-4-oxobutanoate
SMILESCOC(=O)C(CC(=O)c1ccc(C)cc1C)=NN=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H22N2O3/c1-16-12-13-18(17(2)14-16)24(29)15-23(26(30)31-3)27-28-25-21-10-6-4-8-19(21)20-9-5-7-11-22(20)25/h4-14H,15H2,1-3H3
InChIKeyILIDYQCANNCUTO-UHFFFAOYSA-N
XLogP4.92
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.92
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

Methyl 2-(benzhydrylidenehydrazinylidene)-4-(4-fluorophenyl)-4-oxobutanoate
CID 91010792
Methyl 2-[bis(4-methylphenyl)methylidenehydrazinylidene]-4-(4-fluorophenyl)-4-oxobutanoate
CID 91521226
methyl (2E)-2-(benzhydrylidenehydrazinylidene)-3-(4-methylbenzoyl)-4-oxobut-3-enoate
CID 101736505
Methyl 2-[2-(4-acetylphenyl)phenyl]-2-diazoacetate
CID 139254065
Methyl 2-diazo-6-naphthalen-2-yl-6-oxohexanoate
CID 164687198
Methyl 4-(1,2-dihydroaceanthrylen-3-yl)-4-oxobutanoate
CID 9973169
Methyl 4-(1,2-dihydroaceanthrylen-5-yl)-4-oxobutanoate
CID 10381201
Methyl 2-(fluoren-9-ylidenehydrazinylidene)-4-(2-methylphenyl)-4-oxobutanoate
CID 90827280
Methyl 4-(4-butylphenyl)-2-(fluoren-9-ylidenehydrazinylidene)-4-oxobutanoate
CID 90858584
Methyl 2-(fluoren-9-ylidenehydrazinylidene)-4-(3-methylphenyl)-4-oxobutanoate
CID 90910375
Methyl 4-(4-tert-butylphenyl)-2-(fluoren-9-ylidenehydrazinylidene)-4-oxobutanoate
CID 90913107
Methyl 4-(4-ethylphenyl)-2-(fluoren-9-ylidenehydrazinylidene)-4-oxobutanoate
CID 90934924

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,4-dimethylphenyl)-2-(fluoren-9-ylidenehydrazinylidene)-4-oxobutanoate?
The IUPAC name of methyl 4-(2,4-dimethylphenyl)-2-(fluoren-9-ylidenehydrazinylidene)-4-oxobutanoate (CID 90717509) is methyl 4-(2,4-dimethylphenyl)-2-(fluoren-9-ylidenehydrazinylidene)-4-oxobutanoate.
What is the SMILES notation for methyl 4-(2,4-dimethylphenyl)-2-(fluoren-9-ylidenehydrazinylidene)-4-oxobutanoate?
The canonical SMILES for methyl 4-(2,4-dimethylphenyl)-2-(fluoren-9-ylidenehydrazinylidene)-4-oxobutanoate is COC(=O)C(CC(=O)c1ccc(C)cc1C)=NN=C1c2ccccc2-c2ccccc21.
What is the InChIKey of methyl 4-(2,4-dimethylphenyl)-2-(fluoren-9-ylidenehydrazinylidene)-4-oxobutanoate?
The InChIKey is ILIDYQCANNCUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3/c1-16-12-13-18(17(2)14-16)24(29)15-23(26(30)31-3)27-28-25-21-10-6-4-8-19(21)20-9-5-7-11-22(20)25/h4-14H,15H2,1-3H3.
What are the key properties of methyl 4-(2,4-dimethylphenyl)-2-(fluoren-9-ylidenehydrazinylidene)-4-oxobutanoate?
methyl 4-(2,4-dimethylphenyl)-2-(fluoren-9-ylidenehydrazinylidene)-4-oxobutanoate has a molecular weight of 410.47 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,4-dimethylphenyl)-2-(fluoren-9-ylidenehydrazinylidene)-4-oxobutanoate is sourced from PubChem (CID 90717509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).