(2Z)-1,2-diphenyl-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]ethanone

C23H18N2O — CID 6246075

IUPAC(2Z)-1,2-diphenyl-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]ethanone
SMILESO=C(/C(=N\N=C/C=C/c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18N2O/c26-23(21-16-8-3-9-17-21)22(20-14-6-2-7-15-20)25-24-18-10-13-19-11-4-1-5-12-19/h1-18H/b13-10+,24-18-,25-22-
InChIKeyPVXHDGCGWDYKFC-LHXBTUDVSA-N
MW338.41 g/mol
LogP5.06
Rot. Bonds6

About (2Z)-1,2-diphenyl-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]ethanone

(2Z)-1,2-diphenyl-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]ethanone (PubChem CID 6246075) has the molecular formula C23H18N2O and a molecular weight of 338.41 g/mol. Its IUPAC name is (2Z)-1,2-diphenyl-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]ethanone.

Molecular Properties

Compound Name(2Z)-1,2-diphenyl-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]ethanone
PubChem CID6246075
Molecular FormulaC23H18N2O
Molecular Weight338.41 g/mol
Exact Mass338.14
IUPAC Name(2Z)-1,2-diphenyl-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]ethanone
SMILESO=C(/C(=N\N=C/C=C/c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18N2O/c26-23(21-16-8-3-9-17-21)22(20-14-6-2-7-15-20)25-24-18-10-13-19-11-4-1-5-12-19/h1-18H/b13-10+,24-18-,25-22-
InChIKeyPVXHDGCGWDYKFC-LHXBTUDVSA-N
XLogP5.06
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_imine_B(3)', '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 (2Z)-1,2-diphenyl-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]ethanone?
The IUPAC name of (2Z)-1,2-diphenyl-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]ethanone (CID 6246075) is (2Z)-1,2-diphenyl-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]ethanone.
What is the SMILES notation for (2Z)-1,2-diphenyl-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]ethanone?
The canonical SMILES for (2Z)-1,2-diphenyl-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]ethanone is O=C(/C(=N\N=C/C=C/c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (2Z)-1,2-diphenyl-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]ethanone?
The InChIKey is PVXHDGCGWDYKFC-LHXBTUDVSA-N. The full InChI is InChI=1S/C23H18N2O/c26-23(21-16-8-3-9-17-21)22(20-14-6-2-7-15-20)25-24-18-10-13-19-11-4-1-5-12-19/h1-18H/b13-10+,24-18-,25-22-.
What are the key properties of (2Z)-1,2-diphenyl-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]ethanone?
(2Z)-1,2-diphenyl-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]ethanone has a molecular weight of 338.41 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1,2-diphenyl-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]ethanone is sourced from PubChem (CID 6246075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).