2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-6-nitrophenol

C20H13N3O3 — CID 135498046

IUPAC2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-6-nitrophenol
SMILESO=[N+]([O-])c1cccc(/C=N\N=C2c3ccccc3-c3ccccc32)c1O
InChIInChI=1S/C20H13N3O3/c24-20-13(6-5-11-18(20)23(25)26)12-21-22-19-16-9-3-1-7-14(16)15-8-2-4-10-17(15)19/h1-12,24H/b21-12-
InChIKeyCNEZTGQSLMTCBY-MTJSOVHGSA-N
MW343.34 g/mol
LogP4.15
Rot. Bonds3

About 2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-6-nitrophenol

2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-6-nitrophenol (PubChem CID 135498046) has the molecular formula C20H13N3O3 and a molecular weight of 343.34 g/mol. Its IUPAC name is 2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-6-nitrophenol.

Molecular Properties

Compound Name2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-6-nitrophenol
PubChem CID135498046
Molecular FormulaC20H13N3O3
Molecular Weight343.34 g/mol
Exact Mass343.10
IUPAC Name2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-6-nitrophenol
SMILESO=[N+]([O-])c1cccc(/C=N\N=C2c3ccccc3-c3ccccc32)c1O
InChIInChI=1S/C20H13N3O3/c24-20-13(6-5-11-18(20)23(25)26)12-21-22-19-16-9-3-1-7-14(16)15-8-2-4-10-17(15)19/h1-12,24H/b21-12-
InChIKeyCNEZTGQSLMTCBY-MTJSOVHGSA-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_A(479)', '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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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-6-nitrophenol?
The IUPAC name of 2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-6-nitrophenol (CID 135498046) is 2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-6-nitrophenol.
What is the SMILES notation for 2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-6-nitrophenol?
The canonical SMILES for 2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-6-nitrophenol is O=[N+]([O-])c1cccc(/C=N\N=C2c3ccccc3-c3ccccc32)c1O.
What is the InChIKey of 2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-6-nitrophenol?
The InChIKey is CNEZTGQSLMTCBY-MTJSOVHGSA-N. The full InChI is InChI=1S/C20H13N3O3/c24-20-13(6-5-11-18(20)23(25)26)12-21-22-19-16-9-3-1-7-14(16)15-8-2-4-10-17(15)19/h1-12,24H/b21-12-.
What are the key properties of 2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-6-nitrophenol?
2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-6-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 2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-6-nitrophenol is sourced from PubChem (CID 135498046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).