2,4-diiodo-6-[(4-phenyldiazenylphenyl)iminomethyl]phenol

C19H13I2N3O — CID 5076612

IUPAC2,4-diiodo-6-[(4-phenyldiazenylphenyl)iminomethyl]phenol
SMILESOc1c(I)cc(I)cc1/C=N/c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C19H13I2N3O/c20-14-10-13(19(25)18(21)11-14)12-22-15-6-8-17(9-7-15)24-23-16-4-2-1-3-5-16/h1-12,25H/b22-12+,24-23+
InChIKeyMZFPNDNMBIZJRJ-OBMCKAMCSA-N
MW553.14 g/mol
LogP6.77
Rot. Bonds4

About 2,4-diiodo-6-[(4-phenyldiazenylphenyl)iminomethyl]phenol

2,4-diiodo-6-[(4-phenyldiazenylphenyl)iminomethyl]phenol (PubChem CID 5076612) has the molecular formula C19H13I2N3O and a molecular weight of 553.14 g/mol. Its IUPAC name is 2,4-diiodo-6-[(4-phenyldiazenylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2,4-diiodo-6-[(4-phenyldiazenylphenyl)iminomethyl]phenol
PubChem CID5076612
Molecular FormulaC19H13I2N3O
Molecular Weight553.14 g/mol
Exact Mass552.91
IUPAC Name2,4-diiodo-6-[(4-phenyldiazenylphenyl)iminomethyl]phenol
SMILESOc1c(I)cc(I)cc1/C=N/c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C19H13I2N3O/c20-14-10-13(19(25)18(21)11-14)12-22-15-6-8-17(9-7-15)24-23-16-4-2-1-3-5-16/h1-12,25H/b22-12+,24-23+
InChIKeyMZFPNDNMBIZJRJ-OBMCKAMCSA-N
XLogP6.77
TPSA57.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.14
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(4-anilinophenyl)iminomethyl]-4,6-diiodophenol
CID 171981187
2-iodo-4-methyl-6-(phenyliminomethyl)phenol
CID 135988546
2-[(3-chlorophenyl)iminomethyl]-4,6-diiodophenol
CID 4092564
2,4-diiodo-6-(pyridin-2-yliminomethyl)phenol
CID 3640337
2-[(2-hydroxy-5-phenylphenyl)iminomethyl]-4,6-diiodophenol
CID 3915695
4-[(4-phenyldiazenylphenyl)iminomethyl]benzene-1,2,3-triol
CID 136719331
2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol
CID 136912130
2-[[(4R,10R)-4,10-diphenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl]iminomethyl]-4,6-diiodophenol
CID 137090191
2,4-diiodo-6-[(2,3,4,5,6-pentafluorophenyl)iminomethyl]phenol
CID 136744615
2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-4,6-diiodophenol
CID 136678691
2-hydroxy-5-methyl-3-(phenyliminomethyl)benzaldehyde
CID 136741770
2-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-4,6-diiodophenol
CID 3314677

Frequently Asked Questions

What is the IUPAC name of 2,4-diiodo-6-[(4-phenyldiazenylphenyl)iminomethyl]phenol?
The IUPAC name of 2,4-diiodo-6-[(4-phenyldiazenylphenyl)iminomethyl]phenol (CID 5076612) is 2,4-diiodo-6-[(4-phenyldiazenylphenyl)iminomethyl]phenol.
What is the SMILES notation for 2,4-diiodo-6-[(4-phenyldiazenylphenyl)iminomethyl]phenol?
The canonical SMILES for 2,4-diiodo-6-[(4-phenyldiazenylphenyl)iminomethyl]phenol is Oc1c(I)cc(I)cc1/C=N/c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 2,4-diiodo-6-[(4-phenyldiazenylphenyl)iminomethyl]phenol?
The InChIKey is MZFPNDNMBIZJRJ-OBMCKAMCSA-N. The full InChI is InChI=1S/C19H13I2N3O/c20-14-10-13(19(25)18(21)11-14)12-22-15-6-8-17(9-7-15)24-23-16-4-2-1-3-5-16/h1-12,25H/b22-12+,24-23+.
What are the key properties of 2,4-diiodo-6-[(4-phenyldiazenylphenyl)iminomethyl]phenol?
2,4-diiodo-6-[(4-phenyldiazenylphenyl)iminomethyl]phenol has a molecular weight of 553.14 g/mol, XLogP of 6.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diiodo-6-[(4-phenyldiazenylphenyl)iminomethyl]phenol is sourced from PubChem (CID 5076612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).