4,6-dibenzoylbenzene-1,3-dicarbohydrazide

C22H18N4O4 — CID 141129125

IUPAC4,6-dibenzoylbenzene-1,3-dicarbohydrazide
SMILESNNC(=O)c1cc(C(=O)NN)c(C(=O)c2ccccc2)cc1C(=O)c1ccccc1
InChIInChI=1S/C22H18N4O4/c23-25-21(29)17-12-18(22(30)26-24)16(20(28)14-9-5-2-6-10-14)11-15(17)19(27)13-7-3-1-4-8-13/h1-12H,23-24H2,(H,25,29)(H,26,30)
InChIKeyPRHJIONOOSMHEW-UHFFFAOYSA-N
MW402.41 g/mol
LogP1.36
Rot. Bonds6

About 4,6-dibenzoylbenzene-1,3-dicarbohydrazide

4,6-dibenzoylbenzene-1,3-dicarbohydrazide (PubChem CID 141129125) has the molecular formula C22H18N4O4 and a molecular weight of 402.41 g/mol. Its IUPAC name is 4,6-dibenzoylbenzene-1,3-dicarbohydrazide.

Molecular Properties

Compound Name4,6-dibenzoylbenzene-1,3-dicarbohydrazide
PubChem CID141129125
Molecular FormulaC22H18N4O4
Molecular Weight402.41 g/mol
Exact Mass402.13
IUPAC Name4,6-dibenzoylbenzene-1,3-dicarbohydrazide
SMILESNNC(=O)c1cc(C(=O)NN)c(C(=O)c2ccccc2)cc1C(=O)c1ccccc1
InChIInChI=1S/C22H18N4O4/c23-25-21(29)17-12-18(22(30)26-24)16(20(28)14-9-5-2-6-10-14)11-15(17)19(27)13-7-3-1-4-8-13/h1-12H,23-24H2,(H,25,29)(H,26,30)
InChIKeyPRHJIONOOSMHEW-UHFFFAOYSA-N
XLogP1.36
TPSA144.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4,6-dibenzoylbenzene-1,3-dicarbohydrazide?
The IUPAC name of 4,6-dibenzoylbenzene-1,3-dicarbohydrazide (CID 141129125) is 4,6-dibenzoylbenzene-1,3-dicarbohydrazide.
What is the SMILES notation for 4,6-dibenzoylbenzene-1,3-dicarbohydrazide?
The canonical SMILES for 4,6-dibenzoylbenzene-1,3-dicarbohydrazide is NNC(=O)c1cc(C(=O)NN)c(C(=O)c2ccccc2)cc1C(=O)c1ccccc1.
What is the InChIKey of 4,6-dibenzoylbenzene-1,3-dicarbohydrazide?
The InChIKey is PRHJIONOOSMHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4/c23-25-21(29)17-12-18(22(30)26-24)16(20(28)14-9-5-2-6-10-14)11-15(17)19(27)13-7-3-1-4-8-13/h1-12H,23-24H2,(H,25,29)(H,26,30).
What are the key properties of 4,6-dibenzoylbenzene-1,3-dicarbohydrazide?
4,6-dibenzoylbenzene-1,3-dicarbohydrazide has a molecular weight of 402.41 g/mol, XLogP of 1.36, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibenzoylbenzene-1,3-dicarbohydrazide is sourced from PubChem (CID 141129125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).