2-[(4-anilinophenyl)iminomethyl]-4,6-diiodophenol

C19H14I2N2O — CID 171981187

IUPAC2-[(4-anilinophenyl)iminomethyl]-4,6-diiodophenol
SMILESOc1c(I)cc(I)cc1/C=N/c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C19H14I2N2O/c20-14-10-13(19(24)18(21)11-14)12-22-15-6-8-17(9-7-15)23-16-4-2-1-3-5-16/h1-12,23-24H/b22-12+
InChIKeyYYFRXFDVPOANSJ-WSDLNYQXSA-N
MW540.14 g/mol
LogP6.10
Rot. Bonds4

About 2-[(4-anilinophenyl)iminomethyl]-4,6-diiodophenol

2-[(4-anilinophenyl)iminomethyl]-4,6-diiodophenol (PubChem CID 171981187) has the molecular formula C19H14I2N2O and a molecular weight of 540.14 g/mol. Its IUPAC name is 2-[(4-anilinophenyl)iminomethyl]-4,6-diiodophenol.

Molecular Properties

Compound Name2-[(4-anilinophenyl)iminomethyl]-4,6-diiodophenol
PubChem CID171981187
Molecular FormulaC19H14I2N2O
Molecular Weight540.14 g/mol
Exact Mass539.92
IUPAC Name2-[(4-anilinophenyl)iminomethyl]-4,6-diiodophenol
SMILESOc1c(I)cc(I)cc1/C=N/c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C19H14I2N2O/c20-14-10-13(19(24)18(21)11-14)12-22-15-6-8-17(9-7-15)23-16-4-2-1-3-5-16/h1-12,23-24H/b22-12+
InChIKeyYYFRXFDVPOANSJ-WSDLNYQXSA-N
XLogP6.10
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.14
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,4-diiodo-6-[(4-phenyldiazenylphenyl)iminomethyl]phenol
CID 5076612
4-[(4-anilinophenyl)iminomethyl]benzene-1,3-diol
CID 788003
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
2,4-diiodo-6-[(2,3,4,5,6-pentafluorophenyl)iminomethyl]phenol
CID 136744615
2-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4,6-diiodophenol
CID 136772678
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-anilinophenyl)iminomethyl]-6-ethoxyphenol
CID 135774329
2-chloro-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
CID 137066622

Frequently Asked Questions

What is the IUPAC name of 2-[(4-anilinophenyl)iminomethyl]-4,6-diiodophenol?
The IUPAC name of 2-[(4-anilinophenyl)iminomethyl]-4,6-diiodophenol (CID 171981187) is 2-[(4-anilinophenyl)iminomethyl]-4,6-diiodophenol.
What is the SMILES notation for 2-[(4-anilinophenyl)iminomethyl]-4,6-diiodophenol?
The canonical SMILES for 2-[(4-anilinophenyl)iminomethyl]-4,6-diiodophenol is Oc1c(I)cc(I)cc1/C=N/c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 2-[(4-anilinophenyl)iminomethyl]-4,6-diiodophenol?
The InChIKey is YYFRXFDVPOANSJ-WSDLNYQXSA-N. The full InChI is InChI=1S/C19H14I2N2O/c20-14-10-13(19(24)18(21)11-14)12-22-15-6-8-17(9-7-15)23-16-4-2-1-3-5-16/h1-12,23-24H/b22-12+.
What are the key properties of 2-[(4-anilinophenyl)iminomethyl]-4,6-diiodophenol?
2-[(4-anilinophenyl)iminomethyl]-4,6-diiodophenol has a molecular weight of 540.14 g/mol, XLogP of 6.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-anilinophenyl)iminomethyl]-4,6-diiodophenol is sourced from PubChem (CID 171981187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).