(Z)-1-(10-chloroanthracen-9-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine

C23H15ClN4 — CID 9027718

IUPAC(Z)-1-(10-chloroanthracen-9-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
SMILESClc1c2ccccc2c(/C=N\n2cnnc2-c2ccccc2)c2ccccc12
InChIInChI=1S/C23H15ClN4/c24-22-19-12-6-4-10-17(19)21(18-11-5-7-13-20(18)22)14-26-28-15-25-27-23(28)16-8-2-1-3-9-16/h1-15H/b26-14-
InChIKeyOSKZIGHXECMYIY-WGARJPEWSA-N
MW382.85 g/mol
LogP5.79
Rot. Bonds3

About (Z)-1-(10-chloroanthracen-9-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine

(Z)-1-(10-chloroanthracen-9-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine (PubChem CID 9027718) has the molecular formula C23H15ClN4 and a molecular weight of 382.85 g/mol. Its IUPAC name is (Z)-1-(10-chloroanthracen-9-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-(10-chloroanthracen-9-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
PubChem CID9027718
Molecular FormulaC23H15ClN4
Molecular Weight382.85 g/mol
Exact Mass382.10
IUPAC Name(Z)-1-(10-chloroanthracen-9-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
SMILESClc1c2ccccc2c(/C=N\n2cnnc2-c2ccccc2)c2ccccc12
InChIInChI=1S/C23H15ClN4/c24-22-19-12-6-4-10-17(19)21(18-11-5-7-13-20(18)22)14-26-28-15-25-27-23(28)16-8-2-1-3-9-16/h1-15H/b26-14-
InChIKeyOSKZIGHXECMYIY-WGARJPEWSA-N
XLogP5.79
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.85
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(10-chloroanthracen-9-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (Z)-1-(10-chloroanthracen-9-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine (CID 9027718) is (Z)-1-(10-chloroanthracen-9-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (Z)-1-(10-chloroanthracen-9-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (Z)-1-(10-chloroanthracen-9-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine is Clc1c2ccccc2c(/C=N\n2cnnc2-c2ccccc2)c2ccccc12.
What is the InChIKey of (Z)-1-(10-chloroanthracen-9-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine?
The InChIKey is OSKZIGHXECMYIY-WGARJPEWSA-N. The full InChI is InChI=1S/C23H15ClN4/c24-22-19-12-6-4-10-17(19)21(18-11-5-7-13-20(18)22)14-26-28-15-25-27-23(28)16-8-2-1-3-9-16/h1-15H/b26-14-.
What are the key properties of (Z)-1-(10-chloroanthracen-9-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine?
(Z)-1-(10-chloroanthracen-9-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine has a molecular weight of 382.85 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(10-chloroanthracen-9-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 9027718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).