N-(2-iodophenyl)-1-(2-naphthalen-2-ylphenyl)methanimine

C23H16IN — CID 102078019

IUPACN-(2-iodophenyl)-1-(2-naphthalen-2-ylphenyl)methanimine
SMILESIc1ccccc1/N=C/c1ccccc1-c1ccc2ccccc2c1
InChIInChI=1S/C23H16IN/c24-22-11-5-6-12-23(22)25-16-20-9-3-4-10-21(20)19-14-13-17-7-1-2-8-18(17)15-19/h1-16H/b25-16+
InChIKeyHUICTUAAIIKBEK-PCLIKHOPSA-N
MW433.29 g/mol
LogP6.86
Rot. Bonds3

About N-(2-iodophenyl)-1-(2-naphthalen-2-ylphenyl)methanimine

N-(2-iodophenyl)-1-(2-naphthalen-2-ylphenyl)methanimine (PubChem CID 102078019) has the molecular formula C23H16IN and a molecular weight of 433.29 g/mol. Its IUPAC name is N-(2-iodophenyl)-1-(2-naphthalen-2-ylphenyl)methanimine.

Molecular Properties

Compound NameN-(2-iodophenyl)-1-(2-naphthalen-2-ylphenyl)methanimine
PubChem CID102078019
Molecular FormulaC23H16IN
Molecular Weight433.29 g/mol
Exact Mass433.03
IUPAC NameN-(2-iodophenyl)-1-(2-naphthalen-2-ylphenyl)methanimine
SMILESIc1ccccc1/N=C/c1ccccc1-c1ccc2ccccc2c1
InChIInChI=1S/C23H16IN/c24-22-11-5-6-12-23(22)25-16-20-9-3-4-10-21(20)19-14-13-17-7-1-2-8-18(17)15-19/h1-16H/b25-16+
InChIKeyHUICTUAAIIKBEK-PCLIKHOPSA-N
XLogP6.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.29
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-naphthalen-2-ylphenyl)methanimine?
The IUPAC name of N-(2-iodophenyl)-1-(2-naphthalen-2-ylphenyl)methanimine (CID 102078019) is N-(2-iodophenyl)-1-(2-naphthalen-2-ylphenyl)methanimine.
What is the SMILES notation for N-(2-iodophenyl)-1-(2-naphthalen-2-ylphenyl)methanimine?
The canonical SMILES for N-(2-iodophenyl)-1-(2-naphthalen-2-ylphenyl)methanimine is Ic1ccccc1/N=C/c1ccccc1-c1ccc2ccccc2c1.
What is the InChIKey of N-(2-iodophenyl)-1-(2-naphthalen-2-ylphenyl)methanimine?
The InChIKey is HUICTUAAIIKBEK-PCLIKHOPSA-N. The full InChI is InChI=1S/C23H16IN/c24-22-11-5-6-12-23(22)25-16-20-9-3-4-10-21(20)19-14-13-17-7-1-2-8-18(17)15-19/h1-16H/b25-16+.
What are the key properties of N-(2-iodophenyl)-1-(2-naphthalen-2-ylphenyl)methanimine?
N-(2-iodophenyl)-1-(2-naphthalen-2-ylphenyl)methanimine has a molecular weight of 433.29 g/mol, XLogP of 6.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-1-(2-naphthalen-2-ylphenyl)methanimine is sourced from PubChem (CID 102078019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).