1-anthracen-9-yl-N-(3,5-dichlorophenyl)methanimine

C21H13Cl2N — CID 4162835

IUPAC1-anthracen-9-yl-N-(3,5-dichlorophenyl)methanimine
SMILESClc1cc(Cl)cc(/N=C/c2c3ccccc3cc3ccccc23)c1
InChIInChI=1S/C21H13Cl2N/c22-16-10-17(23)12-18(11-16)24-13-21-19-7-3-1-5-14(19)9-15-6-2-4-8-20(15)21/h1-13H/b24-13+
InChIKeyBRAAFQHGAGSXHU-ZMOGYAJESA-N
MW350.25 g/mol
LogP7.05
Rot. Bonds2

About 1-anthracen-9-yl-N-(3,5-dichlorophenyl)methanimine

1-anthracen-9-yl-N-(3,5-dichlorophenyl)methanimine (PubChem CID 4162835) has the molecular formula C21H13Cl2N and a molecular weight of 350.25 g/mol. Its IUPAC name is 1-anthracen-9-yl-N-(3,5-dichlorophenyl)methanimine.

Molecular Properties

Compound Name1-anthracen-9-yl-N-(3,5-dichlorophenyl)methanimine
PubChem CID4162835
Molecular FormulaC21H13Cl2N
Molecular Weight350.25 g/mol
Exact Mass349.04
IUPAC Name1-anthracen-9-yl-N-(3,5-dichlorophenyl)methanimine
SMILESClc1cc(Cl)cc(/N=C/c2c3ccccc3cc3ccccc23)c1
InChIInChI=1S/C21H13Cl2N/c22-16-10-17(23)12-18(11-16)24-13-21-19-7-3-1-5-14(19)9-15-6-2-4-8-20(15)21/h1-13H/b24-13+
InChIKeyBRAAFQHGAGSXHU-ZMOGYAJESA-N
XLogP7.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.25
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-anthracen-9-yl-N-(3,5-dichlorophenyl)methanimine?
The IUPAC name of 1-anthracen-9-yl-N-(3,5-dichlorophenyl)methanimine (CID 4162835) is 1-anthracen-9-yl-N-(3,5-dichlorophenyl)methanimine.
What is the SMILES notation for 1-anthracen-9-yl-N-(3,5-dichlorophenyl)methanimine?
The canonical SMILES for 1-anthracen-9-yl-N-(3,5-dichlorophenyl)methanimine is Clc1cc(Cl)cc(/N=C/c2c3ccccc3cc3ccccc23)c1.
What is the InChIKey of 1-anthracen-9-yl-N-(3,5-dichlorophenyl)methanimine?
The InChIKey is BRAAFQHGAGSXHU-ZMOGYAJESA-N. The full InChI is InChI=1S/C21H13Cl2N/c22-16-10-17(23)12-18(11-16)24-13-21-19-7-3-1-5-14(19)9-15-6-2-4-8-20(15)21/h1-13H/b24-13+.
What are the key properties of 1-anthracen-9-yl-N-(3,5-dichlorophenyl)methanimine?
1-anthracen-9-yl-N-(3,5-dichlorophenyl)methanimine has a molecular weight of 350.25 g/mol, XLogP of 7.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anthracen-9-yl-N-(3,5-dichlorophenyl)methanimine is sourced from PubChem (CID 4162835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).