(3Z)-2-(2,2-diphenylacetyl)-3-[(E)-ethylidenehydrazinylidene]inden-1-one

C25H20N2O2 — CID 14345457

IUPAC(3Z)-2-(2,2-diphenylacetyl)-3-[(E)-ethylidenehydrazinylidene]inden-1-one
SMILESC/C=N/N=C1\c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H20N2O2/c1-2-26-27-23-19-15-9-10-16-20(19)24(28)22(23)25(29)21(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h2-16,21-22H,1H3/b26-2+,27-23+
InChIKeyIKWSJQIXRGFICA-CVLCBGMDSA-N
MW380.45 g/mol
LogP4.70
Rot. Bonds5

About (3Z)-2-(2,2-diphenylacetyl)-3-[(E)-ethylidenehydrazinylidene]inden-1-one

(3Z)-2-(2,2-diphenylacetyl)-3-[(E)-ethylidenehydrazinylidene]inden-1-one (PubChem CID 14345457) has the molecular formula C25H20N2O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is (3Z)-2-(2,2-diphenylacetyl)-3-[(E)-ethylidenehydrazinylidene]inden-1-one.

Molecular Properties

Compound Name(3Z)-2-(2,2-diphenylacetyl)-3-[(E)-ethylidenehydrazinylidene]inden-1-one
PubChem CID14345457
Molecular FormulaC25H20N2O2
Molecular Weight380.45 g/mol
Exact Mass380.15
IUPAC Name(3Z)-2-(2,2-diphenylacetyl)-3-[(E)-ethylidenehydrazinylidene]inden-1-one
SMILESC/C=N/N=C1\c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H20N2O2/c1-2-26-27-23-19-15-9-10-16-20(19)24(28)22(23)25(29)21(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h2-16,21-22H,1H3/b26-2+,27-23+
InChIKeyIKWSJQIXRGFICA-CVLCBGMDSA-N
XLogP4.70
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.70
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-[(E)-ethylidenehydrazinylidene]inden-1-one?
The IUPAC name of (3Z)-2-(2,2-diphenylacetyl)-3-[(E)-ethylidenehydrazinylidene]inden-1-one (CID 14345457) is (3Z)-2-(2,2-diphenylacetyl)-3-[(E)-ethylidenehydrazinylidene]inden-1-one.
What is the SMILES notation for (3Z)-2-(2,2-diphenylacetyl)-3-[(E)-ethylidenehydrazinylidene]inden-1-one?
The canonical SMILES for (3Z)-2-(2,2-diphenylacetyl)-3-[(E)-ethylidenehydrazinylidene]inden-1-one is C/C=N/N=C1\c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (3Z)-2-(2,2-diphenylacetyl)-3-[(E)-ethylidenehydrazinylidene]inden-1-one?
The InChIKey is IKWSJQIXRGFICA-CVLCBGMDSA-N. The full InChI is InChI=1S/C25H20N2O2/c1-2-26-27-23-19-15-9-10-16-20(19)24(28)22(23)25(29)21(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h2-16,21-22H,1H3/b26-2+,27-23+.
What are the key properties of (3Z)-2-(2,2-diphenylacetyl)-3-[(E)-ethylidenehydrazinylidene]inden-1-one?
(3Z)-2-(2,2-diphenylacetyl)-3-[(E)-ethylidenehydrazinylidene]inden-1-one has a molecular weight of 380.45 g/mol, XLogP of 4.70, 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-[(E)-ethylidenehydrazinylidene]inden-1-one is sourced from PubChem (CID 14345457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).