4-(4-hydroxy-3,5-dimethylphenyl)-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol

C23H18N4O4 — CID 136661120

IUPAC4-(4-hydroxy-3,5-dimethylphenyl)-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol
SMILESCc1cc(-c2cc(/N=N/c3ccc([N+](=O)[O-])cn3)c(O)c3ccccc23)cc(C)c1O
InChIInChI=1S/C23H18N4O4/c1-13-9-15(10-14(2)22(13)28)19-11-20(23(29)18-6-4-3-5-17(18)19)25-26-21-8-7-16(12-24-21)27(30)31/h3-12,28-29H,1-2H3/b26-25+
InChIKeyATASXMFEJWGKSY-OCEACIFDSA-N
MW414.42 g/mol
LogP6.25
Rot. Bonds4

About 4-(4-hydroxy-3,5-dimethylphenyl)-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol

4-(4-hydroxy-3,5-dimethylphenyl)-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol (PubChem CID 136661120) has the molecular formula C23H18N4O4 and a molecular weight of 414.42 g/mol. Its IUPAC name is 4-(4-hydroxy-3,5-dimethylphenyl)-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-(4-hydroxy-3,5-dimethylphenyl)-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol
PubChem CID136661120
Molecular FormulaC23H18N4O4
Molecular Weight414.42 g/mol
Exact Mass414.13
IUPAC Name4-(4-hydroxy-3,5-dimethylphenyl)-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol
SMILESCc1cc(-c2cc(/N=N/c3ccc([N+](=O)[O-])cn3)c(O)c3ccccc23)cc(C)c1O
InChIInChI=1S/C23H18N4O4/c1-13-9-15(10-14(2)22(13)28)19-11-20(23(29)18-6-4-3-5-17(18)19)25-26-21-8-7-16(12-24-21)27(30)31/h3-12,28-29H,1-2H3/b26-25+
InChIKeyATASXMFEJWGKSY-OCEACIFDSA-N
XLogP6.25
TPSA121.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.42
LogP ≤ 56.25
H-Bond Donors ≤ 52
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'}

Analyze 4-(4-hydroxy-3,5-dimethylphenyl)-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3,5-dimethylphenyl)-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol?
The IUPAC name of 4-(4-hydroxy-3,5-dimethylphenyl)-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol (CID 136661120) is 4-(4-hydroxy-3,5-dimethylphenyl)-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol.
What is the SMILES notation for 4-(4-hydroxy-3,5-dimethylphenyl)-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol?
The canonical SMILES for 4-(4-hydroxy-3,5-dimethylphenyl)-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol is Cc1cc(-c2cc(/N=N/c3ccc([N+](=O)[O-])cn3)c(O)c3ccccc23)cc(C)c1O.
What is the InChIKey of 4-(4-hydroxy-3,5-dimethylphenyl)-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol?
The InChIKey is ATASXMFEJWGKSY-OCEACIFDSA-N. The full InChI is InChI=1S/C23H18N4O4/c1-13-9-15(10-14(2)22(13)28)19-11-20(23(29)18-6-4-3-5-17(18)19)25-26-21-8-7-16(12-24-21)27(30)31/h3-12,28-29H,1-2H3/b26-25+.
What are the key properties of 4-(4-hydroxy-3,5-dimethylphenyl)-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol?
4-(4-hydroxy-3,5-dimethylphenyl)-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol has a molecular weight of 414.42 g/mol, XLogP of 6.25, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3,5-dimethylphenyl)-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol is sourced from PubChem (CID 136661120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).