4-[[4-(2,4-dinitroanilino)phenyl]diazenyl]-2-phenylphenol

C24H17N5O5 — CID 135666422

IUPAC4-[[4-(2,4-dinitroanilino)phenyl]diazenyl]-2-phenylphenol
SMILESO=[N+]([O-])c1ccc(Nc2ccc(/N=N/c3ccc(O)c(-c4ccccc4)c3)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C24H17N5O5/c30-24-13-10-19(14-21(24)16-4-2-1-3-5-16)27-26-18-8-6-17(7-9-18)25-22-12-11-20(28(31)32)15-23(22)29(33)34/h1-15,25,30H/b27-26+
InChIKeyAMVDKIZZWFHBMC-CYYJNZCTSA-N
MW455.43 g/mol
LogP7.03
Rot. Bonds7

About 4-[[4-(2,4-dinitroanilino)phenyl]diazenyl]-2-phenylphenol

4-[[4-(2,4-dinitroanilino)phenyl]diazenyl]-2-phenylphenol (PubChem CID 135666422) has the molecular formula C24H17N5O5 and a molecular weight of 455.43 g/mol. Its IUPAC name is 4-[[4-(2,4-dinitroanilino)phenyl]diazenyl]-2-phenylphenol.

Molecular Properties

Compound Name4-[[4-(2,4-dinitroanilino)phenyl]diazenyl]-2-phenylphenol
PubChem CID135666422
Molecular FormulaC24H17N5O5
Molecular Weight455.43 g/mol
Exact Mass455.12
IUPAC Name4-[[4-(2,4-dinitroanilino)phenyl]diazenyl]-2-phenylphenol
SMILESO=[N+]([O-])c1ccc(Nc2ccc(/N=N/c3ccc(O)c(-c4ccccc4)c3)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C24H17N5O5/c30-24-13-10-19(14-21(24)16-4-2-1-3-5-16)27-26-18-8-6-17(7-9-18)25-22-12-11-20(28(31)32)15-23(22)29(33)34/h1-15,25,30H/b27-26+
InChIKeyAMVDKIZZWFHBMC-CYYJNZCTSA-N
XLogP7.03
TPSA143.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.43
LogP ≤ 57.03
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,4-dinitroanilino)phenyl]diazenyl]-2-phenylphenol?
The IUPAC name of 4-[[4-(2,4-dinitroanilino)phenyl]diazenyl]-2-phenylphenol (CID 135666422) is 4-[[4-(2,4-dinitroanilino)phenyl]diazenyl]-2-phenylphenol.
What is the SMILES notation for 4-[[4-(2,4-dinitroanilino)phenyl]diazenyl]-2-phenylphenol?
The canonical SMILES for 4-[[4-(2,4-dinitroanilino)phenyl]diazenyl]-2-phenylphenol is O=[N+]([O-])c1ccc(Nc2ccc(/N=N/c3ccc(O)c(-c4ccccc4)c3)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[[4-(2,4-dinitroanilino)phenyl]diazenyl]-2-phenylphenol?
The InChIKey is AMVDKIZZWFHBMC-CYYJNZCTSA-N. The full InChI is InChI=1S/C24H17N5O5/c30-24-13-10-19(14-21(24)16-4-2-1-3-5-16)27-26-18-8-6-17(7-9-18)25-22-12-11-20(28(31)32)15-23(22)29(33)34/h1-15,25,30H/b27-26+.
What are the key properties of 4-[[4-(2,4-dinitroanilino)phenyl]diazenyl]-2-phenylphenol?
4-[[4-(2,4-dinitroanilino)phenyl]diazenyl]-2-phenylphenol has a molecular weight of 455.43 g/mol, XLogP of 7.03, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,4-dinitroanilino)phenyl]diazenyl]-2-phenylphenol is sourced from PubChem (CID 135666422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).