(2R,3Z)-2-(2,2-diphenylacetyl)-3-[(Z)-prop-2-enylidenehydrazinylidene]inden-1-one

C26H20N2O2 — CID 98298847

IUPAC(2R,3Z)-2-(2,2-diphenylacetyl)-3-[(Z)-prop-2-enylidenehydrazinylidene]inden-1-one
SMILESC=C/C=N\N=C1/c2ccccc2C(=O)[C@H]1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H20N2O2/c1-2-17-27-28-24-20-15-9-10-16-21(20)25(29)23(24)26(30)22(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h2-17,22-23H,1H2/b27-17-,28-24+/t23-/m0/s1
InChIKeyDZDKTKPIBKYPSR-VTFSOXIGSA-N
MW392.46 g/mol
LogP4.86
Rot. Bonds6

About (2R,3Z)-2-(2,2-diphenylacetyl)-3-[(Z)-prop-2-enylidenehydrazinylidene]inden-1-one

(2R,3Z)-2-(2,2-diphenylacetyl)-3-[(Z)-prop-2-enylidenehydrazinylidene]inden-1-one (PubChem CID 98298847) has the molecular formula C26H20N2O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is (2R,3Z)-2-(2,2-diphenylacetyl)-3-[(Z)-prop-2-enylidenehydrazinylidene]inden-1-one.

Molecular Properties

Compound Name(2R,3Z)-2-(2,2-diphenylacetyl)-3-[(Z)-prop-2-enylidenehydrazinylidene]inden-1-one
PubChem CID98298847
Molecular FormulaC26H20N2O2
Molecular Weight392.46 g/mol
Exact Mass392.15
IUPAC Name(2R,3Z)-2-(2,2-diphenylacetyl)-3-[(Z)-prop-2-enylidenehydrazinylidene]inden-1-one
SMILESC=C/C=N\N=C1/c2ccccc2C(=O)[C@H]1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H20N2O2/c1-2-17-27-28-24-20-15-9-10-16-21(20)25(29)23(24)26(30)22(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h2-17,22-23H,1H2/b27-17-,28-24+/t23-/m0/s1
InChIKeyDZDKTKPIBKYPSR-VTFSOXIGSA-N
XLogP4.86
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.86
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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Related Compounds

(3Z)-2-(2,2-diphenylacetyl)-3-(methylidenehydrazinylidene)inden-1-one
CID 71312363
(2S,3E)-2-(2,2-diphenylacetyl)-3-hydrazinylideneinden-1-one
CID 98046378
2-[(2R)-2-phenyl-2-(4-propan-2-ylphenyl)acetyl]indene-1,3-dione
CID 99865070
silver 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione
CID 23618747
2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione;hydrochloride
CID 67831677
1-(2,2-diphenylacetyl)-3-hydrazinylidene-1H-inden-2-one
CID 151340938
2-acetyl-3-[(4-nitrophenyl)methylidenehydrazinylidene]inden-1-one
CID 2884314
4-(2,2-diphenylacetyl)-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 86205937
N,N-dimethyl-2,2-diphenylacetamide;prop-2-enoic acid
CID 70599028
barium(2+);2,2-diphenylacetic acid;hydride
CID 174636718
N-(4-ethenylphenyl)-2,2-diphenylacetamide
CID 122527147
2-(2-methylbutanoyl)indene-1,3-dione
CID 70636763

Frequently Asked Questions

What is the IUPAC name of (2R,3Z)-2-(2,2-diphenylacetyl)-3-[(Z)-prop-2-enylidenehydrazinylidene]inden-1-one?
The IUPAC name of (2R,3Z)-2-(2,2-diphenylacetyl)-3-[(Z)-prop-2-enylidenehydrazinylidene]inden-1-one (CID 98298847) is (2R,3Z)-2-(2,2-diphenylacetyl)-3-[(Z)-prop-2-enylidenehydrazinylidene]inden-1-one.
What is the SMILES notation for (2R,3Z)-2-(2,2-diphenylacetyl)-3-[(Z)-prop-2-enylidenehydrazinylidene]inden-1-one?
The canonical SMILES for (2R,3Z)-2-(2,2-diphenylacetyl)-3-[(Z)-prop-2-enylidenehydrazinylidene]inden-1-one is C=C/C=N\N=C1/c2ccccc2C(=O)[C@H]1C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3Z)-2-(2,2-diphenylacetyl)-3-[(Z)-prop-2-enylidenehydrazinylidene]inden-1-one?
The InChIKey is DZDKTKPIBKYPSR-VTFSOXIGSA-N. The full InChI is InChI=1S/C26H20N2O2/c1-2-17-27-28-24-20-15-9-10-16-21(20)25(29)23(24)26(30)22(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h2-17,22-23H,1H2/b27-17-,28-24+/t23-/m0/s1.
What are the key properties of (2R,3Z)-2-(2,2-diphenylacetyl)-3-[(Z)-prop-2-enylidenehydrazinylidene]inden-1-one?
(2R,3Z)-2-(2,2-diphenylacetyl)-3-[(Z)-prop-2-enylidenehydrazinylidene]inden-1-one has a molecular weight of 392.46 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3Z)-2-(2,2-diphenylacetyl)-3-[(Z)-prop-2-enylidenehydrazinylidene]inden-1-one is sourced from PubChem (CID 98298847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).