10-phenyl-3,7-dithiophen-2-ylphenothiazine

C26H17NS3 — CID 142715732

IUPAC10-phenyl-3,7-dithiophen-2-ylphenothiazine
SMILESc1ccc(N2c3ccc(-c4cccs4)cc3Sc3cc(-c4cccs4)ccc32)cc1
InChIInChI=1S/C26H17NS3/c1-2-6-20(7-3-1)27-21-12-10-18(23-8-4-14-28-23)16-25(21)30-26-17-19(11-13-22(26)27)24-9-5-15-29-24/h1-17H
InChIKeyJFPQUQHGIRBGJY-UHFFFAOYSA-N
MW439.63 g/mol
LogP9.08
Rot. Bonds3

About 10-phenyl-3,7-dithiophen-2-ylphenothiazine

10-phenyl-3,7-dithiophen-2-ylphenothiazine (PubChem CID 142715732) has the molecular formula C26H17NS3 and a molecular weight of 439.63 g/mol. Its IUPAC name is 10-phenyl-3,7-dithiophen-2-ylphenothiazine.

Molecular Properties

Compound Name10-phenyl-3,7-dithiophen-2-ylphenothiazine
PubChem CID142715732
Molecular FormulaC26H17NS3
Molecular Weight439.63 g/mol
Exact Mass439.05
IUPAC Name10-phenyl-3,7-dithiophen-2-ylphenothiazine
SMILESc1ccc(N2c3ccc(-c4cccs4)cc3Sc3cc(-c4cccs4)ccc32)cc1
InChIInChI=1S/C26H17NS3/c1-2-6-20(7-3-1)27-21-12-10-18(23-8-4-14-28-23)16-25(21)30-26-17-19(11-13-22(26)27)24-9-5-15-29-24/h1-17H
InChIKeyJFPQUQHGIRBGJY-UHFFFAOYSA-N
XLogP9.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.63
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-phenyl-3,7-dithiophen-2-ylphenothiazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-3,7-dithiophen-2-ylphenothiazine?
The IUPAC name of 10-phenyl-3,7-dithiophen-2-ylphenothiazine (CID 142715732) is 10-phenyl-3,7-dithiophen-2-ylphenothiazine.
What is the SMILES notation for 10-phenyl-3,7-dithiophen-2-ylphenothiazine?
The canonical SMILES for 10-phenyl-3,7-dithiophen-2-ylphenothiazine is c1ccc(N2c3ccc(-c4cccs4)cc3Sc3cc(-c4cccs4)ccc32)cc1.
What is the InChIKey of 10-phenyl-3,7-dithiophen-2-ylphenothiazine?
The InChIKey is JFPQUQHGIRBGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17NS3/c1-2-6-20(7-3-1)27-21-12-10-18(23-8-4-14-28-23)16-25(21)30-26-17-19(11-13-22(26)27)24-9-5-15-29-24/h1-17H.
What are the key properties of 10-phenyl-3,7-dithiophen-2-ylphenothiazine?
10-phenyl-3,7-dithiophen-2-ylphenothiazine has a molecular weight of 439.63 g/mol, XLogP of 9.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-3,7-dithiophen-2-ylphenothiazine is sourced from PubChem (CID 142715732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).