1-[(4-chlorophenyl)-[(4-chlorophenyl)methylideneamino]methyl]naphthalen-2-ol

C24H17Cl2NO — CID 4289227

IUPAC1-[(4-chlorophenyl)-[(4-chlorophenyl)methylideneamino]methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C(/N=C/c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H17Cl2NO/c25-19-10-5-16(6-11-19)15-27-24(18-7-12-20(26)13-8-18)23-21-4-2-1-3-17(21)9-14-22(23)28/h1-15,24,28H/b27-15+
InChIKeyBNEQAHWCTMHEKP-JFLMPSFJSA-N
MW406.31 g/mol
LogP7.06
Rot. Bonds4

About 1-[(4-chlorophenyl)-[(4-chlorophenyl)methylideneamino]methyl]naphthalen-2-ol

1-[(4-chlorophenyl)-[(4-chlorophenyl)methylideneamino]methyl]naphthalen-2-ol (PubChem CID 4289227) has the molecular formula C24H17Cl2NO and a molecular weight of 406.31 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-[(4-chlorophenyl)methylideneamino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-[(4-chlorophenyl)methylideneamino]methyl]naphthalen-2-ol
PubChem CID4289227
Molecular FormulaC24H17Cl2NO
Molecular Weight406.31 g/mol
Exact Mass405.07
IUPAC Name1-[(4-chlorophenyl)-[(4-chlorophenyl)methylideneamino]methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C(/N=C/c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H17Cl2NO/c25-19-10-5-16(6-11-19)15-27-24(18-7-12-20(26)13-8-18)23-21-4-2-1-3-17(21)9-14-22(23)28/h1-15,24,28H/b27-15+
InChIKeyBNEQAHWCTMHEKP-JFLMPSFJSA-N
XLogP7.06
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.31
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-[(4-chlorophenyl)methylideneamino]methyl]naphthalen-2-ol?
The IUPAC name of 1-[(4-chlorophenyl)-[(4-chlorophenyl)methylideneamino]methyl]naphthalen-2-ol (CID 4289227) is 1-[(4-chlorophenyl)-[(4-chlorophenyl)methylideneamino]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(4-chlorophenyl)-[(4-chlorophenyl)methylideneamino]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(4-chlorophenyl)-[(4-chlorophenyl)methylideneamino]methyl]naphthalen-2-ol is Oc1ccc2ccccc2c1C(/N=C/c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)-[(4-chlorophenyl)methylideneamino]methyl]naphthalen-2-ol?
The InChIKey is BNEQAHWCTMHEKP-JFLMPSFJSA-N. The full InChI is InChI=1S/C24H17Cl2NO/c25-19-10-5-16(6-11-19)15-27-24(18-7-12-20(26)13-8-18)23-21-4-2-1-3-17(21)9-14-22(23)28/h1-15,24,28H/b27-15+.
What are the key properties of 1-[(4-chlorophenyl)-[(4-chlorophenyl)methylideneamino]methyl]naphthalen-2-ol?
1-[(4-chlorophenyl)-[(4-chlorophenyl)methylideneamino]methyl]naphthalen-2-ol has a molecular weight of 406.31 g/mol, XLogP of 7.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-[(4-chlorophenyl)methylideneamino]methyl]naphthalen-2-ol is sourced from PubChem (CID 4289227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).