(3Z)-2-(2,2-diphenylacetyl)-3-(methylidenehydrazinylidene)inden-1-one

C24H18N2O2 — CID 71312363

IUPAC(3Z)-2-(2,2-diphenylacetyl)-3-(methylidenehydrazinylidene)inden-1-one
SMILESC=N/N=C1\c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H18N2O2/c1-25-26-22-18-14-8-9-15-19(18)23(27)21(22)24(28)20(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15,20-21H,1H2/b26-22+
InChIKeyWGCHXJADQZBUFT-XTCLZLMSSA-N
MW366.42 g/mol
LogP4.30
Rot. Bonds5

About (3Z)-2-(2,2-diphenylacetyl)-3-(methylidenehydrazinylidene)inden-1-one

(3Z)-2-(2,2-diphenylacetyl)-3-(methylidenehydrazinylidene)inden-1-one (PubChem CID 71312363) has the molecular formula C24H18N2O2 and a molecular weight of 366.42 g/mol. Its IUPAC name is (3Z)-2-(2,2-diphenylacetyl)-3-(methylidenehydrazinylidene)inden-1-one.

Molecular Properties

Compound Name(3Z)-2-(2,2-diphenylacetyl)-3-(methylidenehydrazinylidene)inden-1-one
PubChem CID71312363
Molecular FormulaC24H18N2O2
Molecular Weight366.42 g/mol
Exact Mass366.14
IUPAC Name(3Z)-2-(2,2-diphenylacetyl)-3-(methylidenehydrazinylidene)inden-1-one
SMILESC=N/N=C1\c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H18N2O2/c1-25-26-22-18-14-8-9-15-19(18)23(27)21(22)24(28)20(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15,20-21H,1H2/b26-22+
InChIKeyWGCHXJADQZBUFT-XTCLZLMSSA-N
XLogP4.30
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-(2,2-diphenylacetyl)-3-(methylidenehydrazinylidene)inden-1-one?
The IUPAC name of (3Z)-2-(2,2-diphenylacetyl)-3-(methylidenehydrazinylidene)inden-1-one (CID 71312363) is (3Z)-2-(2,2-diphenylacetyl)-3-(methylidenehydrazinylidene)inden-1-one.
What is the SMILES notation for (3Z)-2-(2,2-diphenylacetyl)-3-(methylidenehydrazinylidene)inden-1-one?
The canonical SMILES for (3Z)-2-(2,2-diphenylacetyl)-3-(methylidenehydrazinylidene)inden-1-one is C=N/N=C1\c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (3Z)-2-(2,2-diphenylacetyl)-3-(methylidenehydrazinylidene)inden-1-one?
The InChIKey is WGCHXJADQZBUFT-XTCLZLMSSA-N. The full InChI is InChI=1S/C24H18N2O2/c1-25-26-22-18-14-8-9-15-19(18)23(27)21(22)24(28)20(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15,20-21H,1H2/b26-22+.
What are the key properties of (3Z)-2-(2,2-diphenylacetyl)-3-(methylidenehydrazinylidene)inden-1-one?
(3Z)-2-(2,2-diphenylacetyl)-3-(methylidenehydrazinylidene)inden-1-one has a molecular weight of 366.42 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-(2,2-diphenylacetyl)-3-(methylidenehydrazinylidene)inden-1-one is sourced from PubChem (CID 71312363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).