(3Z)-3-(fluoren-9-ylidenehydrazinylidene)spiro[1,2,4-triazinane-6,9'-fluorene]-5-one

C28H19N5O — CID 137269443

IUPAC(3Z)-3-(fluoren-9-ylidenehydrazinylidene)spiro[1,2,4-triazinane-6,9'-fluorene]-5-one
SMILESO=C1N/C(=N/N=C2c3ccccc3-c3ccccc32)NNC12c1ccccc1-c1ccccc12
InChIInChI=1S/C28H19N5O/c34-26-28(23-15-7-5-11-19(23)20-12-6-8-16-24(20)28)33-32-27(29-26)31-30-25-21-13-3-1-9-17(21)18-10-2-4-14-22(18)25/h1-16,33H,(H2,29,31,32,34)
InChIKeyNSGPWWFTXHJRMD-UHFFFAOYSA-N
MW441.49 g/mol
LogP3.92
Rot. Bonds1

About (3Z)-3-(fluoren-9-ylidenehydrazinylidene)spiro[1,2,4-triazinane-6,9'-fluorene]-5-one

(3Z)-3-(fluoren-9-ylidenehydrazinylidene)spiro[1,2,4-triazinane-6,9'-fluorene]-5-one (PubChem CID 137269443) has the molecular formula C28H19N5O and a molecular weight of 441.49 g/mol. Its IUPAC name is (3Z)-3-(fluoren-9-ylidenehydrazinylidene)spiro[1,2,4-triazinane-6,9'-fluorene]-5-one.

Molecular Properties

Compound Name(3Z)-3-(fluoren-9-ylidenehydrazinylidene)spiro[1,2,4-triazinane-6,9'-fluorene]-5-one
PubChem CID137269443
Molecular FormulaC28H19N5O
Molecular Weight441.49 g/mol
Exact Mass441.16
IUPAC Name(3Z)-3-(fluoren-9-ylidenehydrazinylidene)spiro[1,2,4-triazinane-6,9'-fluorene]-5-one
SMILESO=C1N/C(=N/N=C2c3ccccc3-c3ccccc32)NNC12c1ccccc1-c1ccccc12
InChIInChI=1S/C28H19N5O/c34-26-28(23-15-7-5-11-19(23)20-12-6-8-16-24(20)28)33-32-27(29-26)31-30-25-21-13-3-1-9-17(21)18-10-2-4-14-22(18)25/h1-16,33H,(H2,29,31,32,34)
InChIKeyNSGPWWFTXHJRMD-UHFFFAOYSA-N
XLogP3.92
TPSA77.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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)-3-(fluoren-9-ylidenehydrazinylidene)spiro[1,2,4-triazinane-6,9'-fluorene]-5-one?
The IUPAC name of (3Z)-3-(fluoren-9-ylidenehydrazinylidene)spiro[1,2,4-triazinane-6,9'-fluorene]-5-one (CID 137269443) is (3Z)-3-(fluoren-9-ylidenehydrazinylidene)spiro[1,2,4-triazinane-6,9'-fluorene]-5-one.
What is the SMILES notation for (3Z)-3-(fluoren-9-ylidenehydrazinylidene)spiro[1,2,4-triazinane-6,9'-fluorene]-5-one?
The canonical SMILES for (3Z)-3-(fluoren-9-ylidenehydrazinylidene)spiro[1,2,4-triazinane-6,9'-fluorene]-5-one is O=C1N/C(=N/N=C2c3ccccc3-c3ccccc32)NNC12c1ccccc1-c1ccccc12.
What is the InChIKey of (3Z)-3-(fluoren-9-ylidenehydrazinylidene)spiro[1,2,4-triazinane-6,9'-fluorene]-5-one?
The InChIKey is NSGPWWFTXHJRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N5O/c34-26-28(23-15-7-5-11-19(23)20-12-6-8-16-24(20)28)33-32-27(29-26)31-30-25-21-13-3-1-9-17(21)18-10-2-4-14-22(18)25/h1-16,33H,(H2,29,31,32,34).
What are the key properties of (3Z)-3-(fluoren-9-ylidenehydrazinylidene)spiro[1,2,4-triazinane-6,9'-fluorene]-5-one?
(3Z)-3-(fluoren-9-ylidenehydrazinylidene)spiro[1,2,4-triazinane-6,9'-fluorene]-5-one has a molecular weight of 441.49 g/mol, XLogP of 3.92, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(fluoren-9-ylidenehydrazinylidene)spiro[1,2,4-triazinane-6,9'-fluorene]-5-one is sourced from PubChem (CID 137269443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).