1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(4-phenylphenyl)methanimine

C25H18ClNS — CID 126113362

IUPAC1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(4-phenylphenyl)methanimine
SMILESClc1ccc(Sc2ccc(/C=N/c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C25H18ClNS/c26-22-10-16-25(17-11-22)28-24-14-6-19(7-15-24)18-27-23-12-8-21(9-13-23)20-4-2-1-3-5-20/h1-18H/b27-18+
InChIKeyOJQIMWSMTZLPTB-OVVQPSECSA-N
MW399.95 g/mol
LogP7.91
Rot. Bonds5

About 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(4-phenylphenyl)methanimine

1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(4-phenylphenyl)methanimine (PubChem CID 126113362) has the molecular formula C25H18ClNS and a molecular weight of 399.95 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(4-phenylphenyl)methanimine.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(4-phenylphenyl)methanimine
PubChem CID126113362
Molecular FormulaC25H18ClNS
Molecular Weight399.95 g/mol
Exact Mass399.08
IUPAC Name1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(4-phenylphenyl)methanimine
SMILESClc1ccc(Sc2ccc(/C=N/c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C25H18ClNS/c26-22-10-16-25(17-11-22)28-24-14-6-19(7-15-24)18-27-23-12-8-21(9-13-23)20-4-2-1-3-5-20/h1-18H/b27-18+
InChIKeyOJQIMWSMTZLPTB-OVVQPSECSA-N
XLogP7.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.95
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(4-phenylphenyl)methanimine?
The IUPAC name of 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(4-phenylphenyl)methanimine (CID 126113362) is 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(4-phenylphenyl)methanimine.
What is the SMILES notation for 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(4-phenylphenyl)methanimine?
The canonical SMILES for 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(4-phenylphenyl)methanimine is Clc1ccc(Sc2ccc(/C=N/c3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(4-phenylphenyl)methanimine?
The InChIKey is OJQIMWSMTZLPTB-OVVQPSECSA-N. The full InChI is InChI=1S/C25H18ClNS/c26-22-10-16-25(17-11-22)28-24-14-6-19(7-15-24)18-27-23-12-8-21(9-13-23)20-4-2-1-3-5-20/h1-18H/b27-18+.
What are the key properties of 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(4-phenylphenyl)methanimine?
1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(4-phenylphenyl)methanimine has a molecular weight of 399.95 g/mol, XLogP of 7.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(4-phenylphenyl)methanimine is sourced from PubChem (CID 126113362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).