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

C25H20N2O3 — CID 91004180

IUPACmethyl 2-(fluoren-9-ylidenehydrazinylidene)-4-(4-methylphenyl)-4-oxobutanoate
SMILESCOC(=O)C(CC(=O)c1ccc(C)cc1)=NN=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H20N2O3/c1-16-11-13-17(14-12-16)23(28)15-22(25(29)30-2)26-27-24-20-9-5-3-7-18(20)19-8-4-6-10-21(19)24/h3-14H,15H2,1-2H3
InChIKeyPTDZOPWNCMJRNO-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.61
Rot. Bonds5

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

methyl 2-(fluoren-9-ylidenehydrazinylidene)-4-(4-methylphenyl)-4-oxobutanoate (PubChem CID 91004180) has the molecular formula C25H20N2O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is methyl 2-(fluoren-9-ylidenehydrazinylidene)-4-(4-methylphenyl)-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 2-(fluoren-9-ylidenehydrazinylidene)-4-(4-methylphenyl)-4-oxobutanoate
PubChem CID91004180
Molecular FormulaC25H20N2O3
Molecular Weight396.45 g/mol
Exact Mass396.15
IUPAC Namemethyl 2-(fluoren-9-ylidenehydrazinylidene)-4-(4-methylphenyl)-4-oxobutanoate
SMILESCOC(=O)C(CC(=O)c1ccc(C)cc1)=NN=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H20N2O3/c1-16-11-13-17(14-12-16)23(28)15-22(25(29)30-2)26-27-24-20-9-5-3-7-18(20)19-8-4-6-10-21(19)24/h3-14H,15H2,1-2H3
InChIKeyPTDZOPWNCMJRNO-UHFFFAOYSA-N
XLogP4.61
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.61
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 2-(fluoren-9-ylidenehydrazinylidene)-4-(4-methylphenyl)-4-oxobutanoate?
The IUPAC name of methyl 2-(fluoren-9-ylidenehydrazinylidene)-4-(4-methylphenyl)-4-oxobutanoate (CID 91004180) is methyl 2-(fluoren-9-ylidenehydrazinylidene)-4-(4-methylphenyl)-4-oxobutanoate.
What is the SMILES notation for methyl 2-(fluoren-9-ylidenehydrazinylidene)-4-(4-methylphenyl)-4-oxobutanoate?
The canonical SMILES for methyl 2-(fluoren-9-ylidenehydrazinylidene)-4-(4-methylphenyl)-4-oxobutanoate is COC(=O)C(CC(=O)c1ccc(C)cc1)=NN=C1c2ccccc2-c2ccccc21.
What is the InChIKey of methyl 2-(fluoren-9-ylidenehydrazinylidene)-4-(4-methylphenyl)-4-oxobutanoate?
The InChIKey is PTDZOPWNCMJRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3/c1-16-11-13-17(14-12-16)23(28)15-22(25(29)30-2)26-27-24-20-9-5-3-7-18(20)19-8-4-6-10-21(19)24/h3-14H,15H2,1-2H3.
What are the key properties of methyl 2-(fluoren-9-ylidenehydrazinylidene)-4-(4-methylphenyl)-4-oxobutanoate?
methyl 2-(fluoren-9-ylidenehydrazinylidene)-4-(4-methylphenyl)-4-oxobutanoate has a molecular weight of 396.45 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(fluoren-9-ylidenehydrazinylidene)-4-(4-methylphenyl)-4-oxobutanoate is sourced from PubChem (CID 91004180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).