1-(2,2-diphenylacetyl)-3-hydrazinylidene-1H-inden-2-one

C23H18N2O2 — CID 151340938

IUPAC1-(2,2-diphenylacetyl)-3-hydrazinylidene-1H-inden-2-one
SMILESNN=C1C(=O)C(C(=O)C(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C23H18N2O2/c24-25-21-18-14-8-7-13-17(18)20(23(21)27)22(26)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19-20H,24H2
InChIKeyOKLPPNGHSWZEAY-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.42
Rot. Bonds4

About 1-(2,2-diphenylacetyl)-3-hydrazinylidene-1H-inden-2-one

1-(2,2-diphenylacetyl)-3-hydrazinylidene-1H-inden-2-one (PubChem CID 151340938) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-(2,2-diphenylacetyl)-3-hydrazinylidene-1H-inden-2-one.

Molecular Properties

Compound Name1-(2,2-diphenylacetyl)-3-hydrazinylidene-1H-inden-2-one
PubChem CID151340938
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name1-(2,2-diphenylacetyl)-3-hydrazinylidene-1H-inden-2-one
SMILESNN=C1C(=O)C(C(=O)C(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C23H18N2O2/c24-25-21-18-14-8-7-13-17(18)20(23(21)27)22(26)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19-20H,24H2
InChIKeyOKLPPNGHSWZEAY-UHFFFAOYSA-N
XLogP3.42
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S,3E)-2-(2,2-diphenylacetyl)-3-hydrazinylideneinden-1-one
CID 98046378
silver 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione
CID 23618747
(3Z)-2-(2,2-diphenylacetyl)-3-(methylidenehydrazinylidene)inden-1-one
CID 71312363
2-[(2R)-2-phenyl-2-(4-propan-2-ylphenyl)acetyl]indene-1,3-dione
CID 99865070
2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione;hydrochloride
CID 67831677
(2R,3Z)-2-(2,2-diphenylacetyl)-3-[(Z)-prop-2-enylidenehydrazinylidene]inden-1-one
CID 98298847
barium(2+);2,2-diphenylacetic acid;hydride
CID 174636718
N,N-bis(9H-fluorene-9-carbonyl)-9H-fluorene-9-carboxamide
CID 70378665
10-(1-hydroxy-2-oxo-2-phenylethyl)-10H-anthracen-9-one
CID 25233409
4-(2,2-diphenylacetyl)-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 86205937
(2S)-2,6-diamino-7-(9H-fluoren-9-yl)-7-oxoheptanoic acid
CID 154512330
anthracene-9,10-dione;carbamic acid
CID 70556478

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diphenylacetyl)-3-hydrazinylidene-1H-inden-2-one?
The IUPAC name of 1-(2,2-diphenylacetyl)-3-hydrazinylidene-1H-inden-2-one (CID 151340938) is 1-(2,2-diphenylacetyl)-3-hydrazinylidene-1H-inden-2-one.
What is the SMILES notation for 1-(2,2-diphenylacetyl)-3-hydrazinylidene-1H-inden-2-one?
The canonical SMILES for 1-(2,2-diphenylacetyl)-3-hydrazinylidene-1H-inden-2-one is NN=C1C(=O)C(C(=O)C(c2ccccc2)c2ccccc2)c2ccccc21.
What is the InChIKey of 1-(2,2-diphenylacetyl)-3-hydrazinylidene-1H-inden-2-one?
The InChIKey is OKLPPNGHSWZEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c24-25-21-18-14-8-7-13-17(18)20(23(21)27)22(26)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19-20H,24H2.
What are the key properties of 1-(2,2-diphenylacetyl)-3-hydrazinylidene-1H-inden-2-one?
1-(2,2-diphenylacetyl)-3-hydrazinylidene-1H-inden-2-one has a molecular weight of 354.41 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diphenylacetyl)-3-hydrazinylidene-1H-inden-2-one is sourced from PubChem (CID 151340938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).