N-(2-iodophenyl)-1-[2-(4-phenylphenoxy)phenyl]methanimine

C25H18INO — CID 102078029

IUPACN-(2-iodophenyl)-1-[2-(4-phenylphenoxy)phenyl]methanimine
SMILESIc1ccccc1/N=C/c1ccccc1Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H18INO/c26-23-11-5-6-12-24(23)27-18-21-10-4-7-13-25(21)28-22-16-14-20(15-17-22)19-8-2-1-3-9-19/h1-18H/b27-18+
InChIKeyNVSQRRROWCWFTB-OVVQPSECSA-N
MW475.33 g/mol
LogP7.50
Rot. Bonds5

About N-(2-iodophenyl)-1-[2-(4-phenylphenoxy)phenyl]methanimine

N-(2-iodophenyl)-1-[2-(4-phenylphenoxy)phenyl]methanimine (PubChem CID 102078029) has the molecular formula C25H18INO and a molecular weight of 475.33 g/mol. Its IUPAC name is N-(2-iodophenyl)-1-[2-(4-phenylphenoxy)phenyl]methanimine.

Molecular Properties

Compound NameN-(2-iodophenyl)-1-[2-(4-phenylphenoxy)phenyl]methanimine
PubChem CID102078029
Molecular FormulaC25H18INO
Molecular Weight475.33 g/mol
Exact Mass475.04
IUPAC NameN-(2-iodophenyl)-1-[2-(4-phenylphenoxy)phenyl]methanimine
SMILESIc1ccccc1/N=C/c1ccccc1Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H18INO/c26-23-11-5-6-12-24(23)27-18-21-10-4-7-13-25(21)28-22-16-14-20(15-17-22)19-8-2-1-3-9-19/h1-18H/b27-18+
InChIKeyNVSQRRROWCWFTB-OVVQPSECSA-N
XLogP7.50
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.33
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-1-[2-(4-phenylphenoxy)phenyl]methanimine?
The IUPAC name of N-(2-iodophenyl)-1-[2-(4-phenylphenoxy)phenyl]methanimine (CID 102078029) is N-(2-iodophenyl)-1-[2-(4-phenylphenoxy)phenyl]methanimine.
What is the SMILES notation for N-(2-iodophenyl)-1-[2-(4-phenylphenoxy)phenyl]methanimine?
The canonical SMILES for N-(2-iodophenyl)-1-[2-(4-phenylphenoxy)phenyl]methanimine is Ic1ccccc1/N=C/c1ccccc1Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(2-iodophenyl)-1-[2-(4-phenylphenoxy)phenyl]methanimine?
The InChIKey is NVSQRRROWCWFTB-OVVQPSECSA-N. The full InChI is InChI=1S/C25H18INO/c26-23-11-5-6-12-24(23)27-18-21-10-4-7-13-25(21)28-22-16-14-20(15-17-22)19-8-2-1-3-9-19/h1-18H/b27-18+.
What are the key properties of N-(2-iodophenyl)-1-[2-(4-phenylphenoxy)phenyl]methanimine?
N-(2-iodophenyl)-1-[2-(4-phenylphenoxy)phenyl]methanimine has a molecular weight of 475.33 g/mol, XLogP of 7.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-1-[2-(4-phenylphenoxy)phenyl]methanimine is sourced from PubChem (CID 102078029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).