9-[(2,4-dinitrophenyl)hydrazinylidene]fluorene-2,4-diol

C19H12N4O6 — CID 135962076

IUPAC9-[(2,4-dinitrophenyl)hydrazinylidene]fluorene-2,4-diol
SMILESO=[N+]([O-])c1ccc(NN=C2c3ccccc3-c3c(O)cc(O)cc32)c([N+](=O)[O-])c1
InChIInChI=1S/C19H12N4O6/c24-11-8-14-18(17(25)9-11)12-3-1-2-4-13(12)19(14)21-20-15-6-5-10(22(26)27)7-16(15)23(28)29/h1-9,20,24-25H
InChIKeyYFKHYLKKUOPIFD-UHFFFAOYSA-N
MW392.33 g/mol
LogP3.76
Rot. Bonds4

About 9-[(2,4-dinitrophenyl)hydrazinylidene]fluorene-2,4-diol

9-[(2,4-dinitrophenyl)hydrazinylidene]fluorene-2,4-diol (PubChem CID 135962076) has the molecular formula C19H12N4O6 and a molecular weight of 392.33 g/mol. Its IUPAC name is 9-[(2,4-dinitrophenyl)hydrazinylidene]fluorene-2,4-diol.

Molecular Properties

Compound Name9-[(2,4-dinitrophenyl)hydrazinylidene]fluorene-2,4-diol
PubChem CID135962076
Molecular FormulaC19H12N4O6
Molecular Weight392.33 g/mol
Exact Mass392.08
IUPAC Name9-[(2,4-dinitrophenyl)hydrazinylidene]fluorene-2,4-diol
SMILESO=[N+]([O-])c1ccc(NN=C2c3ccccc3-c3c(O)cc(O)cc32)c([N+](=O)[O-])c1
InChIInChI=1S/C19H12N4O6/c24-11-8-14-18(17(25)9-11)12-3-1-2-4-13(12)19(14)21-20-15-6-5-10(22(26)27)7-16(15)23(28)29/h1-9,20,24-25H
InChIKeyYFKHYLKKUOPIFD-UHFFFAOYSA-N
XLogP3.76
TPSA151.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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

2,4-dinitro-N-[(10-oxothioxanthen-9-ylidene)amino]aniline
CID 10982424
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2,4-dinitroaniline
CID 5379027
N-[(E)-benzo[7]annulen-5-ylideneamino]-2,4-dinitroaniline
CID 90470398
N-(2,4-dinitrophenyl)nitrous amide
CID 54504418
4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135533486
N,N-diethyl-4-(2-fluoren-9-ylidenehydrazinyl)-3-nitrobenzenesulfonamide
CID 5215796
N-[(E)-(3,3-diphenyl-2-benzothiophen-1-ylidene)amino]-2,4-dinitroaniline
CID 6165490
N-(benzhydrylideneamino)-2,4-dinitroaniline
CID 139071012
4-[(2,4-dinitrophenyl)hydrazinylidene]-3a,8b-dihydroxy-1,3-dimethylindeno[1,2-d]imidazol-2-one
CID 3089481
(4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-4-phenylbutanoic acid
CID 6306782
2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
CID 135537481
2,4-dinitro-N-(1-phenylethylideneamino)aniline
CID 15503

Frequently Asked Questions

What is the IUPAC name of 9-[(2,4-dinitrophenyl)hydrazinylidene]fluorene-2,4-diol?
The IUPAC name of 9-[(2,4-dinitrophenyl)hydrazinylidene]fluorene-2,4-diol (CID 135962076) is 9-[(2,4-dinitrophenyl)hydrazinylidene]fluorene-2,4-diol.
What is the SMILES notation for 9-[(2,4-dinitrophenyl)hydrazinylidene]fluorene-2,4-diol?
The canonical SMILES for 9-[(2,4-dinitrophenyl)hydrazinylidene]fluorene-2,4-diol is O=[N+]([O-])c1ccc(NN=C2c3ccccc3-c3c(O)cc(O)cc32)c([N+](=O)[O-])c1.
What is the InChIKey of 9-[(2,4-dinitrophenyl)hydrazinylidene]fluorene-2,4-diol?
The InChIKey is YFKHYLKKUOPIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O6/c24-11-8-14-18(17(25)9-11)12-3-1-2-4-13(12)19(14)21-20-15-6-5-10(22(26)27)7-16(15)23(28)29/h1-9,20,24-25H.
What are the key properties of 9-[(2,4-dinitrophenyl)hydrazinylidene]fluorene-2,4-diol?
9-[(2,4-dinitrophenyl)hydrazinylidene]fluorene-2,4-diol has a molecular weight of 392.33 g/mol, XLogP of 3.76, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2,4-dinitrophenyl)hydrazinylidene]fluorene-2,4-diol is sourced from PubChem (CID 135962076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).