1-N,1-N',3-N,3-N'-tetrabenzoylpropanedihydrazide

C31H24N4O6 — CID 175312357

IUPAC1-N,1-N',3-N,3-N'-tetrabenzoylpropanedihydrazide
SMILESO=C(NN(C(=O)CC(=O)N(NC(=O)c1ccccc1)C(=O)c1ccccc1)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C31H24N4O6/c36-26(34(30(40)24-17-9-3-10-18-24)32-28(38)22-13-5-1-6-14-22)21-27(37)35(31(41)25-19-11-4-12-20-25)33-29(39)23-15-7-2-8-16-23/h1-20H,21H2,(H,32,38)(H,33,39)
InChIKeyFMDZXTCLVSZCKO-UHFFFAOYSA-N
MW548.56 g/mol
LogP3.40
Rot. Bonds6

About 1-N,1-N',3-N,3-N'-tetrabenzoylpropanedihydrazide

1-N,1-N',3-N,3-N'-tetrabenzoylpropanedihydrazide (PubChem CID 175312357) has the molecular formula C31H24N4O6 and a molecular weight of 548.56 g/mol. Its IUPAC name is 1-N,1-N',3-N,3-N'-tetrabenzoylpropanedihydrazide.

Molecular Properties

Compound Name1-N,1-N',3-N,3-N'-tetrabenzoylpropanedihydrazide
PubChem CID175312357
Molecular FormulaC31H24N4O6
Molecular Weight548.56 g/mol
Exact Mass548.17
IUPAC Name1-N,1-N',3-N,3-N'-tetrabenzoylpropanedihydrazide
SMILESO=C(NN(C(=O)CC(=O)N(NC(=O)c1ccccc1)C(=O)c1ccccc1)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C31H24N4O6/c36-26(34(30(40)24-17-9-3-10-18-24)32-28(38)22-13-5-1-6-14-22)21-27(37)35(31(41)25-19-11-4-12-20-25)33-29(39)23-15-7-2-8-16-23/h1-20H,21H2,(H,32,38)(H,33,39)
InChIKeyFMDZXTCLVSZCKO-UHFFFAOYSA-N
XLogP3.40
TPSA132.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.56
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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 1-N,1-N',3-N,3-N'-tetrabenzoylpropanedihydrazide?
The IUPAC name of 1-N,1-N',3-N,3-N'-tetrabenzoylpropanedihydrazide (CID 175312357) is 1-N,1-N',3-N,3-N'-tetrabenzoylpropanedihydrazide.
What is the SMILES notation for 1-N,1-N',3-N,3-N'-tetrabenzoylpropanedihydrazide?
The canonical SMILES for 1-N,1-N',3-N,3-N'-tetrabenzoylpropanedihydrazide is O=C(NN(C(=O)CC(=O)N(NC(=O)c1ccccc1)C(=O)c1ccccc1)C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-N,1-N',3-N,3-N'-tetrabenzoylpropanedihydrazide?
The InChIKey is FMDZXTCLVSZCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N4O6/c36-26(34(30(40)24-17-9-3-10-18-24)32-28(38)22-13-5-1-6-14-22)21-27(37)35(31(41)25-19-11-4-12-20-25)33-29(39)23-15-7-2-8-16-23/h1-20H,21H2,(H,32,38)(H,33,39).
What are the key properties of 1-N,1-N',3-N,3-N'-tetrabenzoylpropanedihydrazide?
1-N,1-N',3-N,3-N'-tetrabenzoylpropanedihydrazide has a molecular weight of 548.56 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N',3-N,3-N'-tetrabenzoylpropanedihydrazide is sourced from PubChem (CID 175312357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).