2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid

C21H14N2O2 — CID 5458226

IUPAC2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid
SMILESO=C(O)c1ccccc1/C=N\N=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H14N2O2/c24-21(25)15-8-2-1-7-14(15)13-22-23-20-18-11-5-3-9-16(18)17-10-4-6-12-19(17)20/h1-13H,(H,24,25)/b22-13-
InChIKeyAMULTEKXIYUBCP-XKZIYDEJSA-N
MW326.36 g/mol
LogP4.24
Rot. Bonds3

About 2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid

2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid (PubChem CID 5458226) has the molecular formula C21H14N2O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid.

Molecular Properties

Compound Name2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid
PubChem CID5458226
Molecular FormulaC21H14N2O2
Molecular Weight326.36 g/mol
Exact Mass326.11
IUPAC Name2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid
SMILESO=C(O)c1ccccc1/C=N\N=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H14N2O2/c24-21(25)15-8-2-1-7-14(15)13-22-23-20-18-11-5-3-9-16(18)17-10-4-6-12-19(17)20/h1-13H,(H,24,25)/b22-13-
InChIKeyAMULTEKXIYUBCP-XKZIYDEJSA-N
XLogP4.24
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 54.24
H-Bond Donors ≤ 51
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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Related Compounds

9-(hydroxyimino)-9H-fluorene-1-carboxylic acid
CID 5381804
4-[(E)-(9h-Fluoren-9-Ylidenehydrazinylidene)methyl]benzoic Acid
CID 5351986
4-((Fluoren-9-ylidenehydrazinylidene)methyl)benzoic acid
CID 274593
2-(2-(9H-fluoren-9-ylidene)carbohydrazonoyl)benzoic acid
CID 274577
2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid
CID 5351984
4-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid
CID 5458228
2-Fluoren-9-ylidenemethyl-benzoic acid
CID 3643267
9H-fluoren-9-one O-(2-fluorobenzoyl)oxime
CID 754845
2-(4H-diazepin-7-yl)benzoic acid
CID 53884261
2-(3,4-Dihydroisoquinolin-1-yl) benzoic acid
CID 71518066
Fluoren-9-ylideneazamethyl 3-fluorobenzoate
CID 781877
(Fluoren-9-ylideneamino) 4-fluorobenzoate
CID 824109

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid?
The IUPAC name of 2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid (CID 5458226) is 2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid.
What is the SMILES notation for 2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid?
The canonical SMILES for 2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid is O=C(O)c1ccccc1/C=N\N=C1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid?
The InChIKey is AMULTEKXIYUBCP-XKZIYDEJSA-N. The full InChI is InChI=1S/C21H14N2O2/c24-21(25)15-8-2-1-7-14(15)13-22-23-20-18-11-5-3-9-16(18)17-10-4-6-12-19(17)20/h1-13H,(H,24,25)/b22-13-.
What are the key properties of 2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid?
2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid has a molecular weight of 326.36 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid is sourced from PubChem (CID 5458226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).