[4-(1-adamantyl)phenyl]-(4-iodophenyl)methanimine

C23H24IN — CID 155003915

IUPAC[4-(1-adamantyl)phenyl]-(4-iodophenyl)methanimine
SMILES[H]/N=C(\c1ccc(I)cc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H24IN/c24-21-7-3-19(4-8-21)22(25)18-1-5-20(6-2-18)23-12-15-9-16(13-23)11-17(10-15)14-23/h1-8,15-17,25H,9-14H2/b25-22-
InChIKeyBTXZTPXZSISVHA-LVWGJNHUSA-N
MW441.36 g/mol
LogP6.18
Rot. Bonds3

About [4-(1-adamantyl)phenyl]-(4-iodophenyl)methanimine

[4-(1-adamantyl)phenyl]-(4-iodophenyl)methanimine (PubChem CID 155003915) has the molecular formula C23H24IN and a molecular weight of 441.36 g/mol. Its IUPAC name is [4-(1-adamantyl)phenyl]-(4-iodophenyl)methanimine.

Molecular Properties

Compound Name[4-(1-adamantyl)phenyl]-(4-iodophenyl)methanimine
PubChem CID155003915
Molecular FormulaC23H24IN
Molecular Weight441.36 g/mol
Exact Mass441.10
IUPAC Name[4-(1-adamantyl)phenyl]-(4-iodophenyl)methanimine
SMILES[H]/N=C(\c1ccc(I)cc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H24IN/c24-21-7-3-19(4-8-21)22(25)18-1-5-20(6-2-18)23-12-15-9-16(13-23)11-17(10-15)14-23/h1-8,15-17,25H,9-14H2/b25-22-
InChIKeyBTXZTPXZSISVHA-LVWGJNHUSA-N
XLogP6.18
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.36
LogP ≤ 56.18
H-Bond Donors ≤ 51
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 [4-(1-adamantyl)phenyl]-(4-iodophenyl)methanimine?
The IUPAC name of [4-(1-adamantyl)phenyl]-(4-iodophenyl)methanimine (CID 155003915) is [4-(1-adamantyl)phenyl]-(4-iodophenyl)methanimine.
What is the SMILES notation for [4-(1-adamantyl)phenyl]-(4-iodophenyl)methanimine?
The canonical SMILES for [4-(1-adamantyl)phenyl]-(4-iodophenyl)methanimine is [H]/N=C(\c1ccc(I)cc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of [4-(1-adamantyl)phenyl]-(4-iodophenyl)methanimine?
The InChIKey is BTXZTPXZSISVHA-LVWGJNHUSA-N. The full InChI is InChI=1S/C23H24IN/c24-21-7-3-19(4-8-21)22(25)18-1-5-20(6-2-18)23-12-15-9-16(13-23)11-17(10-15)14-23/h1-8,15-17,25H,9-14H2/b25-22-.
What are the key properties of [4-(1-adamantyl)phenyl]-(4-iodophenyl)methanimine?
[4-(1-adamantyl)phenyl]-(4-iodophenyl)methanimine has a molecular weight of 441.36 g/mol, XLogP of 6.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-adamantyl)phenyl]-(4-iodophenyl)methanimine is sourced from PubChem (CID 155003915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).