10-[(2,4-dinitrophenyl)diazenyl]anthracen-9-ol

C20H12N4O5 — CID 136691071

IUPAC10-[(2,4-dinitrophenyl)diazenyl]anthracen-9-ol
SMILESO=[N+]([O-])c1ccc(/N=N/c2c3ccccc3c(O)c3ccccc23)c([N+](=O)[O-])c1
InChIInChI=1S/C20H12N4O5/c25-20-15-7-3-1-5-13(15)19(14-6-2-4-8-16(14)20)22-21-17-10-9-12(23(26)27)11-18(17)24(28)29/h1-11,25H/b22-21+
InChIKeyIYVCOWSPRAHZSW-QURGRASLSA-N
MW388.34 g/mol
LogP5.93
Rot. Bonds4

About 10-[(2,4-dinitrophenyl)diazenyl]anthracen-9-ol

10-[(2,4-dinitrophenyl)diazenyl]anthracen-9-ol (PubChem CID 136691071) has the molecular formula C20H12N4O5 and a molecular weight of 388.34 g/mol. Its IUPAC name is 10-[(2,4-dinitrophenyl)diazenyl]anthracen-9-ol.

Molecular Properties

Compound Name10-[(2,4-dinitrophenyl)diazenyl]anthracen-9-ol
PubChem CID136691071
Molecular FormulaC20H12N4O5
Molecular Weight388.34 g/mol
Exact Mass388.08
IUPAC Name10-[(2,4-dinitrophenyl)diazenyl]anthracen-9-ol
SMILESO=[N+]([O-])c1ccc(/N=N/c2c3ccccc3c(O)c3ccccc23)c([N+](=O)[O-])c1
InChIInChI=1S/C20H12N4O5/c25-20-15-7-3-1-5-13(15)19(14-6-2-4-8-16(14)20)22-21-17-10-9-12(23(26)27)11-18(17)24(28)29/h1-11,25H/b22-21+
InChIKeyIYVCOWSPRAHZSW-QURGRASLSA-N
XLogP5.93
TPSA131.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.34
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-[(2,4-dinitrophenyl)diazenyl]naphthalene-1,8-diol
CID 3094136
4-[(2,4-dinitrophenyl)diazenyl]-2,6-dimethylphenol
CID 136728959
4-(dibutylamino)-1-[(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol
CID 136900153
2-[(2-nitrophenyl)diazenyl]naphthalene-1,4-diol
CID 135503618
disodium;3-[(2,4-dinitrophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
CID 137140608
3-[(2,4-dinitrophenyl)diazenyl]-4,7-dimethyl-1H-indol-2-ol
CID 171982731
7-amino-3-[(2,4-dinitrophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 136880439
(2,4-dinitrophenyl)-(4-fluoro-3-nitrophenyl)diazene
CID 102292228
6-hydroxy-5-[(2-nitro-4-phenylphenyl)diazenyl]-1H-pyrimidine-2,4-dione
CID 3945122
5-[(2,4-dinitrophenyl)diazenyl]-2-hydroxy-4-methyl-1-(2-methylpropyl)-6-oxopyridine-3-carbonitrile
CID 135835239
5-[(2,4-dinitrophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 135835249
4-(dibutylamino)-2-[(2,4-dinitrophenyl)diazenyl]anthracen-1-ol
CID 135480221

Frequently Asked Questions

What is the IUPAC name of 10-[(2,4-dinitrophenyl)diazenyl]anthracen-9-ol?
The IUPAC name of 10-[(2,4-dinitrophenyl)diazenyl]anthracen-9-ol (CID 136691071) is 10-[(2,4-dinitrophenyl)diazenyl]anthracen-9-ol.
What is the SMILES notation for 10-[(2,4-dinitrophenyl)diazenyl]anthracen-9-ol?
The canonical SMILES for 10-[(2,4-dinitrophenyl)diazenyl]anthracen-9-ol is O=[N+]([O-])c1ccc(/N=N/c2c3ccccc3c(O)c3ccccc23)c([N+](=O)[O-])c1.
What is the InChIKey of 10-[(2,4-dinitrophenyl)diazenyl]anthracen-9-ol?
The InChIKey is IYVCOWSPRAHZSW-QURGRASLSA-N. The full InChI is InChI=1S/C20H12N4O5/c25-20-15-7-3-1-5-13(15)19(14-6-2-4-8-16(14)20)22-21-17-10-9-12(23(26)27)11-18(17)24(28)29/h1-11,25H/b22-21+.
What are the key properties of 10-[(2,4-dinitrophenyl)diazenyl]anthracen-9-ol?
10-[(2,4-dinitrophenyl)diazenyl]anthracen-9-ol has a molecular weight of 388.34 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(2,4-dinitrophenyl)diazenyl]anthracen-9-ol is sourced from PubChem (CID 136691071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).