4-(dibutylamino)-1-[(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol

C24H27N5O5 — CID 136900153

IUPAC4-(dibutylamino)-1-[(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol
SMILESCCCCN(CCCC)c1cc(O)c(/N=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc12
InChIInChI=1S/C24H27N5O5/c1-3-5-13-27(14-6-4-2)21-16-23(30)24(19-10-8-7-9-18(19)21)26-25-20-12-11-17(28(31)32)15-22(20)29(33)34/h7-12,15-16,30H,3-6,13-14H2,1-2H3/b26-25+
InChIKeyDBTNTGGIDFRLTC-OCEACIFDSA-N
MW465.51 g/mol
LogP7.18
Rot. Bonds11

About 4-(dibutylamino)-1-[(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol

4-(dibutylamino)-1-[(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol (PubChem CID 136900153) has the molecular formula C24H27N5O5 and a molecular weight of 465.51 g/mol. Its IUPAC name is 4-(dibutylamino)-1-[(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name4-(dibutylamino)-1-[(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol
PubChem CID136900153
Molecular FormulaC24H27N5O5
Molecular Weight465.51 g/mol
Exact Mass465.20
IUPAC Name4-(dibutylamino)-1-[(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol
SMILESCCCCN(CCCC)c1cc(O)c(/N=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc12
InChIInChI=1S/C24H27N5O5/c1-3-5-13-27(14-6-4-2)21-16-23(30)24(19-10-8-7-9-18(19)21)26-25-20-12-11-17(28(31)32)15-22(20)29(33)34/h7-12,15-16,30H,3-6,13-14H2,1-2H3/b26-25+
InChIKeyDBTNTGGIDFRLTC-OCEACIFDSA-N
XLogP7.18
TPSA134.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.51
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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'}

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Related Compounds

4-(dibutylamino)-2-[(2,4-dinitrophenyl)diazenyl]anthracen-1-ol
CID 135480221
10-[(2,4-dinitrophenyl)diazenyl]anthracen-9-ol
CID 136691071
N,N-dibutyl-2,4-dinitroaniline
CID 15758071
4-[(2,4-dinitrophenyl)diazenyl]naphthalene-1,8-diol
CID 3094136
ethyl 4-[4-[(2,4-dinitrophenyl)diazenyl]-N-ethyl-2,5-dimethylanilino]butanoate
CID 59064785
4-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]-N,N-diethyl-3-nitrobenzenesulfonamide
CID 3252841
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-[4-[(2,4-dinitrophenyl)diazenyl]-N-ethyl-2,5-dimethoxyanilino]butanoic acid
CID 59064802
1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;iron
CID 167455353
[2-[butyl(ethyl)amino]-5-nitrophenyl]methanol
CID 28963508
2-(N-butyl-2-methyl-5-nitroanilino)ethanol
CID 55091699

Frequently Asked Questions

What is the IUPAC name of 4-(dibutylamino)-1-[(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol?
The IUPAC name of 4-(dibutylamino)-1-[(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol (CID 136900153) is 4-(dibutylamino)-1-[(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol.
What is the SMILES notation for 4-(dibutylamino)-1-[(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol?
The canonical SMILES for 4-(dibutylamino)-1-[(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol is CCCCN(CCCC)c1cc(O)c(/N=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc12.
What is the InChIKey of 4-(dibutylamino)-1-[(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol?
The InChIKey is DBTNTGGIDFRLTC-OCEACIFDSA-N. The full InChI is InChI=1S/C24H27N5O5/c1-3-5-13-27(14-6-4-2)21-16-23(30)24(19-10-8-7-9-18(19)21)26-25-20-12-11-17(28(31)32)15-22(20)29(33)34/h7-12,15-16,30H,3-6,13-14H2,1-2H3/b26-25+.
What are the key properties of 4-(dibutylamino)-1-[(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol?
4-(dibutylamino)-1-[(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol has a molecular weight of 465.51 g/mol, XLogP of 7.18, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibutylamino)-1-[(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol is sourced from PubChem (CID 136900153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).