4-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-2-nitrophenol

C20H13N3O3 — CID 135846474

IUPAC4-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-2-nitrophenol
SMILESO=[N+]([O-])c1cc(/C=N/N=C2c3ccccc3-c3ccccc32)ccc1O
InChIInChI=1S/C20H13N3O3/c24-19-10-9-13(11-18(19)23(25)26)12-21-22-20-16-7-3-1-5-14(16)15-6-2-4-8-17(15)20/h1-12,24H/b21-12+
InChIKeySWCVSXPGKIXODK-CIAFOILYSA-N
MW343.34 g/mol
LogP4.15
Rot. Bonds3

About 4-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-2-nitrophenol

4-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-2-nitrophenol (PubChem CID 135846474) has the molecular formula C20H13N3O3 and a molecular weight of 343.34 g/mol. Its IUPAC name is 4-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-2-nitrophenol.

Molecular Properties

Compound Name4-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-2-nitrophenol
PubChem CID135846474
Molecular FormulaC20H13N3O3
Molecular Weight343.34 g/mol
Exact Mass343.10
IUPAC Name4-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-2-nitrophenol
SMILESO=[N+]([O-])c1cc(/C=N/N=C2c3ccccc3-c3ccccc32)ccc1O
InChIInChI=1S/C20H13N3O3/c24-19-10-9-13(11-18(19)23(25)26)12-21-22-20-16-7-3-1-5-14(16)15-6-2-4-8-17(15)20/h1-12,24H/b21-12+
InChIKeySWCVSXPGKIXODK-CIAFOILYSA-N
XLogP4.15
TPSA88.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-[(E)-(4-hydroxy-3-nitrophenyl)methylidenehydrazinylidene]-1-prop-2-enylindol-2-one
CID 135577356
2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-nitrophenol
CID 135497970
(Z)-N-[(Z)-(2-nitrophenyl)methylideneamino]fluoren-9-imine
CID 5408346
4-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenol
CID 135559008
4-hydroxy-3-nitrobenzaldehyde
CID 18169
2-chloro-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135696942
1,2-bis[(4-hydroxy-3-nitrophenyl)methylideneamino]guanidine
CID 137255813
4-[(Z)-(dibenzylhydrazinylidene)methyl]-2-nitrophenol
CID 135731345
(3Z)-3-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylidenehydrazinylidene]-1-methylindol-2-one
CID 9214138
2-nitro-4-[(Z)-[(Z)-(2-oxo-1-prop-2-enylindol-3-ylidene)hydrazinylidene]methyl]phenolate
CID 9215978
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 137156037
4-[(2-ethoxyphenyl)iminomethyl]-2-nitrophenol
CID 137050265

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-2-nitrophenol?
The IUPAC name of 4-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-2-nitrophenol (CID 135846474) is 4-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-2-nitrophenol.
What is the SMILES notation for 4-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-2-nitrophenol?
The canonical SMILES for 4-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-2-nitrophenol is O=[N+]([O-])c1cc(/C=N/N=C2c3ccccc3-c3ccccc32)ccc1O.
What is the InChIKey of 4-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-2-nitrophenol?
The InChIKey is SWCVSXPGKIXODK-CIAFOILYSA-N. The full InChI is InChI=1S/C20H13N3O3/c24-19-10-9-13(11-18(19)23(25)26)12-21-22-20-16-7-3-1-5-14(16)15-6-2-4-8-17(15)20/h1-12,24H/b21-12+.
What are the key properties of 4-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-2-nitrophenol?
4-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-2-nitrophenol has a molecular weight of 343.34 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-2-nitrophenol is sourced from PubChem (CID 135846474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).