8-[1-(4-methylphenyl)ethylidenehydrazinylidene]-8aH-fluoren-9-one

C22H18N2O — CID 87747272

IUPAC8-[1-(4-methylphenyl)ethylidenehydrazinylidene]-8aH-fluoren-9-one
SMILESCC(=NN=C1C=CC=C2c3ccccc3C(=O)C21)c1ccc(C)cc1
InChIInChI=1S/C22H18N2O/c1-14-10-12-16(13-11-14)15(2)23-24-20-9-5-8-18-17-6-3-4-7-19(17)22(25)21(18)20/h3-13,21H,1-2H3
InChIKeyBLPACPRLQCGHQX-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.63
Rot. Bonds2

About 8-[1-(4-methylphenyl)ethylidenehydrazinylidene]-8aH-fluoren-9-one

8-[1-(4-methylphenyl)ethylidenehydrazinylidene]-8aH-fluoren-9-one (PubChem CID 87747272) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 8-[1-(4-methylphenyl)ethylidenehydrazinylidene]-8aH-fluoren-9-one.

Molecular Properties

Compound Name8-[1-(4-methylphenyl)ethylidenehydrazinylidene]-8aH-fluoren-9-one
PubChem CID87747272
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name8-[1-(4-methylphenyl)ethylidenehydrazinylidene]-8aH-fluoren-9-one
SMILESCC(=NN=C1C=CC=C2c3ccccc3C(=O)C21)c1ccc(C)cc1
InChIInChI=1S/C22H18N2O/c1-14-10-12-16(13-11-14)15(2)23-24-20-9-5-8-18-17-6-3-4-7-19(17)22(25)21(18)20/h3-13,21H,1-2H3
InChIKeyBLPACPRLQCGHQX-UHFFFAOYSA-N
XLogP4.63
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 8-[1-(4-methylphenyl)ethylidenehydrazinylidene]-8aH-fluoren-9-one?
The IUPAC name of 8-[1-(4-methylphenyl)ethylidenehydrazinylidene]-8aH-fluoren-9-one (CID 87747272) is 8-[1-(4-methylphenyl)ethylidenehydrazinylidene]-8aH-fluoren-9-one.
What is the SMILES notation for 8-[1-(4-methylphenyl)ethylidenehydrazinylidene]-8aH-fluoren-9-one?
The canonical SMILES for 8-[1-(4-methylphenyl)ethylidenehydrazinylidene]-8aH-fluoren-9-one is CC(=NN=C1C=CC=C2c3ccccc3C(=O)C21)c1ccc(C)cc1.
What is the InChIKey of 8-[1-(4-methylphenyl)ethylidenehydrazinylidene]-8aH-fluoren-9-one?
The InChIKey is BLPACPRLQCGHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c1-14-10-12-16(13-11-14)15(2)23-24-20-9-5-8-18-17-6-3-4-7-19(17)22(25)21(18)20/h3-13,21H,1-2H3.
What are the key properties of 8-[1-(4-methylphenyl)ethylidenehydrazinylidene]-8aH-fluoren-9-one?
8-[1-(4-methylphenyl)ethylidenehydrazinylidene]-8aH-fluoren-9-one has a molecular weight of 326.40 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(4-methylphenyl)ethylidenehydrazinylidene]-8aH-fluoren-9-one is sourced from PubChem (CID 87747272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).