10-[2-(benzotriazol-2-yl)phenyl]phenothiazine

C24H16N4S — CID 118429483

IUPAC10-[2-(benzotriazol-2-yl)phenyl]phenothiazine
SMILESc1ccc2c(c1)Sc1ccccc1N2c1ccccc1-n1nc2ccccc2n1
InChIInChI=1S/C24H16N4S/c1-2-10-18-17(9-1)25-28(26-18)20-12-4-3-11-19(20)27-21-13-5-7-15-23(21)29-24-16-8-6-14-22(24)27/h1-16H
InChIKeyIZSMJSRDZSGKES-UHFFFAOYSA-N
MW392.49 g/mol
LogP6.35
Rot. Bonds2

About 10-[2-(benzotriazol-2-yl)phenyl]phenothiazine

10-[2-(benzotriazol-2-yl)phenyl]phenothiazine (PubChem CID 118429483) has the molecular formula C24H16N4S and a molecular weight of 392.49 g/mol. Its IUPAC name is 10-[2-(benzotriazol-2-yl)phenyl]phenothiazine.

Molecular Properties

Compound Name10-[2-(benzotriazol-2-yl)phenyl]phenothiazine
PubChem CID118429483
Molecular FormulaC24H16N4S
Molecular Weight392.49 g/mol
Exact Mass392.11
IUPAC Name10-[2-(benzotriazol-2-yl)phenyl]phenothiazine
SMILESc1ccc2c(c1)Sc1ccccc1N2c1ccccc1-n1nc2ccccc2n1
InChIInChI=1S/C24H16N4S/c1-2-10-18-17(9-1)25-28(26-18)20-12-4-3-11-19(20)27-21-13-5-7-15-23(21)29-24-16-8-6-14-22(24)27/h1-16H
InChIKeyIZSMJSRDZSGKES-UHFFFAOYSA-N
XLogP6.35
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.49
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-[2-(benzotriazol-2-yl)phenyl]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-[2-(benzotriazol-2-yl)phenyl]phenothiazine?
The IUPAC name of 10-[2-(benzotriazol-2-yl)phenyl]phenothiazine (CID 118429483) is 10-[2-(benzotriazol-2-yl)phenyl]phenothiazine.
What is the SMILES notation for 10-[2-(benzotriazol-2-yl)phenyl]phenothiazine?
The canonical SMILES for 10-[2-(benzotriazol-2-yl)phenyl]phenothiazine is c1ccc2c(c1)Sc1ccccc1N2c1ccccc1-n1nc2ccccc2n1.
What is the InChIKey of 10-[2-(benzotriazol-2-yl)phenyl]phenothiazine?
The InChIKey is IZSMJSRDZSGKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4S/c1-2-10-18-17(9-1)25-28(26-18)20-12-4-3-11-19(20)27-21-13-5-7-15-23(21)29-24-16-8-6-14-22(24)27/h1-16H.
What are the key properties of 10-[2-(benzotriazol-2-yl)phenyl]phenothiazine?
10-[2-(benzotriazol-2-yl)phenyl]phenothiazine has a molecular weight of 392.49 g/mol, XLogP of 6.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(benzotriazol-2-yl)phenyl]phenothiazine is sourced from PubChem (CID 118429483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).