10-[2-(2-phenothiazin-10-ylphenyl)sulfonylphenyl]phenothiazine

C36H24N2O2S3 — CID 130438684

IUPAC10-[2-(2-phenothiazin-10-ylphenyl)sulfonylphenyl]phenothiazine
SMILESO=S(=O)(c1ccccc1N1c2ccccc2Sc2ccccc21)c1ccccc1N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C36H24N2O2S3/c39-43(40,35-23-11-5-17-29(35)37-25-13-1-7-19-31(25)41-32-20-8-2-14-26(32)37)36-24-12-6-18-30(36)38-27-15-3-9-21-33(27)42-34-22-10-4-16-28(34)38/h1-24H
InChIKeySLBRYNYXAPDMQY-UHFFFAOYSA-N
MW612.80 g/mol
LogP10.39
Rot. Bonds4

About 10-[2-(2-phenothiazin-10-ylphenyl)sulfonylphenyl]phenothiazine

10-[2-(2-phenothiazin-10-ylphenyl)sulfonylphenyl]phenothiazine (PubChem CID 130438684) has the molecular formula C36H24N2O2S3 and a molecular weight of 612.80 g/mol. Its IUPAC name is 10-[2-(2-phenothiazin-10-ylphenyl)sulfonylphenyl]phenothiazine.

Molecular Properties

Compound Name10-[2-(2-phenothiazin-10-ylphenyl)sulfonylphenyl]phenothiazine
PubChem CID130438684
Molecular FormulaC36H24N2O2S3
Molecular Weight612.80 g/mol
Exact Mass612.10
IUPAC Name10-[2-(2-phenothiazin-10-ylphenyl)sulfonylphenyl]phenothiazine
SMILESO=S(=O)(c1ccccc1N1c2ccccc2Sc2ccccc21)c1ccccc1N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C36H24N2O2S3/c39-43(40,35-23-11-5-17-29(35)37-25-13-1-7-19-31(25)41-32-20-8-2-14-26(32)37)36-24-12-6-18-30(36)38-27-15-3-9-21-33(27)42-34-22-10-4-16-28(34)38/h1-24H
InChIKeySLBRYNYXAPDMQY-UHFFFAOYSA-N
XLogP10.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.80
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-[2-(2-phenothiazin-10-ylphenyl)sulfonylphenyl]phenothiazine with MolForge

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

Launch Full Analysis

Related Compounds

10-[7,11-di(phenothiazin-10-yl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]phenothiazine
CID 67476601
10-(10-phenothiazin-10-ylperylen-3-yl)phenothiazine
CID 20710028
10-[2-(benzotriazol-2-yl)phenyl]phenothiazine
CID 118429483
10-[4-(2,5-dimethyl-4-phenothiazin-10-ylphenyl)-2,5-dimethylphenyl]phenothiazine
CID 102590349
10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine
CID 141449755
phenothiazine-10-carbaldehyde
CID 11138870
bis(10-(1H-inden-1-id-2-yl)phenothiazine);zirconium(4+);dichloride
CID 87863569
2-[3,5-di(phenothiazin-10-yl)phenyl]isoindole-1,3-dione
CID 130395529
2-(2,5-dioxopyrrol-1-yl)benzenesulfonamide
CID 18755844
10-tellurophen-2-ylphenothiazine
CID 148812338
1-(4-phenothiazin-10-ylphenyl)ethanone
CID 86206499
10-(7-phenothiazin-10-yl-2-phenylbenzotriazol-4-yl)phenothiazine
CID 118429659

Frequently Asked Questions

What is the IUPAC name of 10-[2-(2-phenothiazin-10-ylphenyl)sulfonylphenyl]phenothiazine?
The IUPAC name of 10-[2-(2-phenothiazin-10-ylphenyl)sulfonylphenyl]phenothiazine (CID 130438684) is 10-[2-(2-phenothiazin-10-ylphenyl)sulfonylphenyl]phenothiazine.
What is the SMILES notation for 10-[2-(2-phenothiazin-10-ylphenyl)sulfonylphenyl]phenothiazine?
The canonical SMILES for 10-[2-(2-phenothiazin-10-ylphenyl)sulfonylphenyl]phenothiazine is O=S(=O)(c1ccccc1N1c2ccccc2Sc2ccccc21)c1ccccc1N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 10-[2-(2-phenothiazin-10-ylphenyl)sulfonylphenyl]phenothiazine?
The InChIKey is SLBRYNYXAPDMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2O2S3/c39-43(40,35-23-11-5-17-29(35)37-25-13-1-7-19-31(25)41-32-20-8-2-14-26(32)37)36-24-12-6-18-30(36)38-27-15-3-9-21-33(27)42-34-22-10-4-16-28(34)38/h1-24H.
What are the key properties of 10-[2-(2-phenothiazin-10-ylphenyl)sulfonylphenyl]phenothiazine?
10-[2-(2-phenothiazin-10-ylphenyl)sulfonylphenyl]phenothiazine has a molecular weight of 612.80 g/mol, XLogP of 10.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(2-phenothiazin-10-ylphenyl)sulfonylphenyl]phenothiazine is sourced from PubChem (CID 130438684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).