1-amino-2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]anthracene-9,10-dione

C21H13N5O6 — CID 4540474

IUPAC1-amino-2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]anthracene-9,10-dione
SMILESNc1c(C=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C21H13N5O6/c22-19-11(10-23-24-16-8-6-12(25(29)30)9-17(16)26(31)32)5-7-15-18(19)21(28)14-4-2-1-3-13(14)20(15)27/h1-10,24H,22H2
InChIKeyUMXQQWDYTIYFBP-UHFFFAOYSA-N
MW431.36 g/mol
LogP3.31
Rot. Bonds5

About 1-amino-2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]anthracene-9,10-dione

1-amino-2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]anthracene-9,10-dione (PubChem CID 4540474) has the molecular formula C21H13N5O6 and a molecular weight of 431.36 g/mol. Its IUPAC name is 1-amino-2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]anthracene-9,10-dione.

Molecular Properties

Compound Name1-amino-2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]anthracene-9,10-dione
PubChem CID4540474
Molecular FormulaC21H13N5O6
Molecular Weight431.36 g/mol
Exact Mass431.09
IUPAC Name1-amino-2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]anthracene-9,10-dione
SMILESNc1c(C=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C21H13N5O6/c22-19-11(10-23-24-16-8-6-12(25(29)30)9-17(16)26(31)32)5-7-15-18(19)21(28)14-4-2-1-3-13(14)20(15)27/h1-10,24H,22H2
InChIKeyUMXQQWDYTIYFBP-UHFFFAOYSA-N
XLogP3.31
TPSA170.83 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.36
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze 1-amino-2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]anthracene-9,10-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzoic acid
CID 5463188
2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
CID 135537481
N-[[4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3,5,6-tetramethylphenyl]methylideneamino]-2,4-dinitroaniline
CID 3936149
4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135533486
N-(3H-inden-1-ylmethylideneamino)-2,4-dinitroaniline
CID 165353821
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2,4-dinitroaniline
CID 6132068
N-[(E)-(10-methylanthracen-9-yl)methylideneamino]-2,4-dinitroaniline
CID 126009433
N-[(E)-1H-indol-3-ylmethylideneamino]-2,4-dinitroaniline
CID 135411855
4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzene-1,3-disulfonic acid
CID 45039106
CID 131874611
CID 131874611
2,4-dichloro-6-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 5173716
4-nitro-2-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate
CID 7311295

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]anthracene-9,10-dione?
The IUPAC name of 1-amino-2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]anthracene-9,10-dione (CID 4540474) is 1-amino-2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]anthracene-9,10-dione.
What is the SMILES notation for 1-amino-2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]anthracene-9,10-dione?
The canonical SMILES for 1-amino-2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]anthracene-9,10-dione is Nc1c(C=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-amino-2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]anthracene-9,10-dione?
The InChIKey is UMXQQWDYTIYFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N5O6/c22-19-11(10-23-24-16-8-6-12(25(29)30)9-17(16)26(31)32)5-7-15-18(19)21(28)14-4-2-1-3-13(14)20(15)27/h1-10,24H,22H2.
What are the key properties of 1-amino-2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]anthracene-9,10-dione?
1-amino-2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]anthracene-9,10-dione has a molecular weight of 431.36 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]anthracene-9,10-dione is sourced from PubChem (CID 4540474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).