10-methyl-3,7-bis[2-(trifluoromethyl)-1H-indol-5-yl]phenothiazine

C31H19F6N3S — CID 171073426

IUPAC10-methyl-3,7-bis[2-(trifluoromethyl)-1H-indol-5-yl]phenothiazine
SMILESCN1c2ccc(-c3ccc4[nH]c(C(F)(F)F)cc4c3)cc2Sc2cc(-c3ccc4[nH]c(C(F)(F)F)cc4c3)ccc21
InChIInChI=1S/C31H19F6N3S/c1-40-24-8-4-18(16-2-6-22-20(10-16)14-28(38-22)30(32,33)34)12-26(24)41-27-13-19(5-9-25(27)40)17-3-7-23-21(11-17)15-29(39-23)31(35,36)37/h2-15,38-39H,1H3
InChIKeyMTODWEUSZBVJLB-UHFFFAOYSA-N
MW579.57 g/mol
LogP10.25
Rot. Bonds2

About 10-methyl-3,7-bis[2-(trifluoromethyl)-1H-indol-5-yl]phenothiazine

10-methyl-3,7-bis[2-(trifluoromethyl)-1H-indol-5-yl]phenothiazine (PubChem CID 171073426) has the molecular formula C31H19F6N3S and a molecular weight of 579.57 g/mol. Its IUPAC name is 10-methyl-3,7-bis[2-(trifluoromethyl)-1H-indol-5-yl]phenothiazine.

Molecular Properties

Compound Name10-methyl-3,7-bis[2-(trifluoromethyl)-1H-indol-5-yl]phenothiazine
PubChem CID171073426
Molecular FormulaC31H19F6N3S
Molecular Weight579.57 g/mol
Exact Mass579.12
IUPAC Name10-methyl-3,7-bis[2-(trifluoromethyl)-1H-indol-5-yl]phenothiazine
SMILESCN1c2ccc(-c3ccc4[nH]c(C(F)(F)F)cc4c3)cc2Sc2cc(-c3ccc4[nH]c(C(F)(F)F)cc4c3)ccc21
InChIInChI=1S/C31H19F6N3S/c1-40-24-8-4-18(16-2-6-22-20(10-16)14-28(38-22)30(32,33)34)12-26(24)41-27-13-19(5-9-25(27)40)17-3-7-23-21(11-17)15-29(39-23)31(35,36)37/h2-15,38-39H,1H3
InChIKeyMTODWEUSZBVJLB-UHFFFAOYSA-N
XLogP10.25
TPSA34.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.57
LogP ≤ 510.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 10-methyl-3,7-bis[2-(trifluoromethyl)-1H-indol-5-yl]phenothiazine 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-methyl-3,7-bis[2-(trifluoromethyl)-1H-indol-5-yl]phenothiazine?
The IUPAC name of 10-methyl-3,7-bis[2-(trifluoromethyl)-1H-indol-5-yl]phenothiazine (CID 171073426) is 10-methyl-3,7-bis[2-(trifluoromethyl)-1H-indol-5-yl]phenothiazine.
What is the SMILES notation for 10-methyl-3,7-bis[2-(trifluoromethyl)-1H-indol-5-yl]phenothiazine?
The canonical SMILES for 10-methyl-3,7-bis[2-(trifluoromethyl)-1H-indol-5-yl]phenothiazine is CN1c2ccc(-c3ccc4[nH]c(C(F)(F)F)cc4c3)cc2Sc2cc(-c3ccc4[nH]c(C(F)(F)F)cc4c3)ccc21.
What is the InChIKey of 10-methyl-3,7-bis[2-(trifluoromethyl)-1H-indol-5-yl]phenothiazine?
The InChIKey is MTODWEUSZBVJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19F6N3S/c1-40-24-8-4-18(16-2-6-22-20(10-16)14-28(38-22)30(32,33)34)12-26(24)41-27-13-19(5-9-25(27)40)17-3-7-23-21(11-17)15-29(39-23)31(35,36)37/h2-15,38-39H,1H3.
What are the key properties of 10-methyl-3,7-bis[2-(trifluoromethyl)-1H-indol-5-yl]phenothiazine?
10-methyl-3,7-bis[2-(trifluoromethyl)-1H-indol-5-yl]phenothiazine has a molecular weight of 579.57 g/mol, XLogP of 10.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-3,7-bis[2-(trifluoromethyl)-1H-indol-5-yl]phenothiazine is sourced from PubChem (CID 171073426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).