(3E)-2-(2,2-diphenylacetyl)-3-(propan-2-ylidenehydrazinylidene)inden-1-one

C26H22N2O2 — CID 6507968

IUPAC(3E)-2-(2,2-diphenylacetyl)-3-(propan-2-ylidenehydrazinylidene)inden-1-one
SMILESCC(C)=N/N=C1/c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H22N2O2/c1-17(2)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/h3-16,22-23H,1-2H3/b28-24-
InChIKeyAGSDZTBXEYDVJT-COOPMVRXSA-N
MW394.47 g/mol
LogP5.09
Rot. Bonds5

About (3E)-2-(2,2-diphenylacetyl)-3-(propan-2-ylidenehydrazinylidene)inden-1-one

(3E)-2-(2,2-diphenylacetyl)-3-(propan-2-ylidenehydrazinylidene)inden-1-one (PubChem CID 6507968) has the molecular formula C26H22N2O2 and a molecular weight of 394.47 g/mol. Its IUPAC name is (3E)-2-(2,2-diphenylacetyl)-3-(propan-2-ylidenehydrazinylidene)inden-1-one.

Molecular Properties

Compound Name(3E)-2-(2,2-diphenylacetyl)-3-(propan-2-ylidenehydrazinylidene)inden-1-one
PubChem CID6507968
Molecular FormulaC26H22N2O2
Molecular Weight394.47 g/mol
Exact Mass394.17
IUPAC Name(3E)-2-(2,2-diphenylacetyl)-3-(propan-2-ylidenehydrazinylidene)inden-1-one
SMILESCC(C)=N/N=C1/c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H22N2O2/c1-17(2)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/h3-16,22-23H,1-2H3/b28-24-
InChIKeyAGSDZTBXEYDVJT-COOPMVRXSA-N
XLogP5.09
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.09
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 (3E)-2-(2,2-diphenylacetyl)-3-(propan-2-ylidenehydrazinylidene)inden-1-one?
The IUPAC name of (3E)-2-(2,2-diphenylacetyl)-3-(propan-2-ylidenehydrazinylidene)inden-1-one (CID 6507968) is (3E)-2-(2,2-diphenylacetyl)-3-(propan-2-ylidenehydrazinylidene)inden-1-one.
What is the SMILES notation for (3E)-2-(2,2-diphenylacetyl)-3-(propan-2-ylidenehydrazinylidene)inden-1-one?
The canonical SMILES for (3E)-2-(2,2-diphenylacetyl)-3-(propan-2-ylidenehydrazinylidene)inden-1-one is CC(C)=N/N=C1/c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (3E)-2-(2,2-diphenylacetyl)-3-(propan-2-ylidenehydrazinylidene)inden-1-one?
The InChIKey is AGSDZTBXEYDVJT-COOPMVRXSA-N. The full InChI is InChI=1S/C26H22N2O2/c1-17(2)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/h3-16,22-23H,1-2H3/b28-24-.
What are the key properties of (3E)-2-(2,2-diphenylacetyl)-3-(propan-2-ylidenehydrazinylidene)inden-1-one?
(3E)-2-(2,2-diphenylacetyl)-3-(propan-2-ylidenehydrazinylidene)inden-1-one has a molecular weight of 394.47 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-(2,2-diphenylacetyl)-3-(propan-2-ylidenehydrazinylidene)inden-1-one is sourced from PubChem (CID 6507968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).