1-(4-chlorophenyl)-N-[4-(9H-thioxanthen-9-yl)phenyl]methanimine

C26H18ClNS — CID 3111126

IUPAC1-(4-chlorophenyl)-N-[4-(9H-thioxanthen-9-yl)phenyl]methanimine
SMILESClc1ccc(/C=N/c2ccc(C3c4ccccc4Sc4ccccc43)cc2)cc1
InChIInChI=1S/C26H18ClNS/c27-20-13-9-18(10-14-20)17-28-21-15-11-19(12-16-21)26-22-5-1-3-7-24(22)29-25-8-4-2-6-23(25)26/h1-17,26H/b28-17+
InChIKeyGUCWCRKZJPHTBA-OGLMXYFKSA-N
MW411.96 g/mol
LogP7.74
Rot. Bonds3

About 1-(4-chlorophenyl)-N-[4-(9H-thioxanthen-9-yl)phenyl]methanimine

1-(4-chlorophenyl)-N-[4-(9H-thioxanthen-9-yl)phenyl]methanimine (PubChem CID 3111126) has the molecular formula C26H18ClNS and a molecular weight of 411.96 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-(9H-thioxanthen-9-yl)phenyl]methanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[4-(9H-thioxanthen-9-yl)phenyl]methanimine
PubChem CID3111126
Molecular FormulaC26H18ClNS
Molecular Weight411.96 g/mol
Exact Mass411.08
IUPAC Name1-(4-chlorophenyl)-N-[4-(9H-thioxanthen-9-yl)phenyl]methanimine
SMILESClc1ccc(/C=N/c2ccc(C3c4ccccc4Sc4ccccc43)cc2)cc1
InChIInChI=1S/C26H18ClNS/c27-20-13-9-18(10-14-20)17-28-21-15-11-19(12-16-21)26-22-5-1-3-7-24(22)29-25-8-4-2-6-23(25)26/h1-17,26H/b28-17+
InChIKeyGUCWCRKZJPHTBA-OGLMXYFKSA-N
XLogP7.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.96
LogP ≤ 57.74
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-chlorophenyl)-N-[4-(9H-thioxanthen-9-yl)phenyl]methanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-[4-(9H-thioxanthen-9-yl)phenyl]methanimine (CID 3111126) is 1-(4-chlorophenyl)-N-[4-(9H-thioxanthen-9-yl)phenyl]methanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-(9H-thioxanthen-9-yl)phenyl]methanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[4-(9H-thioxanthen-9-yl)phenyl]methanimine is Clc1ccc(/C=N/c2ccc(C3c4ccccc4Sc4ccccc43)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[4-(9H-thioxanthen-9-yl)phenyl]methanimine?
The InChIKey is GUCWCRKZJPHTBA-OGLMXYFKSA-N. The full InChI is InChI=1S/C26H18ClNS/c27-20-13-9-18(10-14-20)17-28-21-15-11-19(12-16-21)26-22-5-1-3-7-24(22)29-25-8-4-2-6-23(25)26/h1-17,26H/b28-17+.
What are the key properties of 1-(4-chlorophenyl)-N-[4-(9H-thioxanthen-9-yl)phenyl]methanimine?
1-(4-chlorophenyl)-N-[4-(9H-thioxanthen-9-yl)phenyl]methanimine has a molecular weight of 411.96 g/mol, XLogP of 7.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[4-(9H-thioxanthen-9-yl)phenyl]methanimine is sourced from PubChem (CID 3111126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).