10-[3-(1-phenyltriazol-4-yl)phenyl]phenothiazine

C26H18N4S — CID 118303730

IUPAC10-[3-(1-phenyltriazol-4-yl)phenyl]phenothiazine
SMILESc1ccc(-n2cc(-c3cccc(N4c5ccccc5Sc5ccccc54)c3)nn2)cc1
InChIInChI=1S/C26H18N4S/c1-2-10-20(11-3-1)29-18-22(27-28-29)19-9-8-12-21(17-19)30-23-13-4-6-15-25(23)31-26-16-7-5-14-24(26)30/h1-18H
InChIKeyIEIZIOIRJNXJMS-UHFFFAOYSA-N
MW418.53 g/mol
LogP6.87
Rot. Bonds3

About 10-[3-(1-phenyltriazol-4-yl)phenyl]phenothiazine

10-[3-(1-phenyltriazol-4-yl)phenyl]phenothiazine (PubChem CID 118303730) has the molecular formula C26H18N4S and a molecular weight of 418.53 g/mol. Its IUPAC name is 10-[3-(1-phenyltriazol-4-yl)phenyl]phenothiazine.

Molecular Properties

Compound Name10-[3-(1-phenyltriazol-4-yl)phenyl]phenothiazine
PubChem CID118303730
Molecular FormulaC26H18N4S
Molecular Weight418.53 g/mol
Exact Mass418.13
IUPAC Name10-[3-(1-phenyltriazol-4-yl)phenyl]phenothiazine
SMILESc1ccc(-n2cc(-c3cccc(N4c5ccccc5Sc5ccccc54)c3)nn2)cc1
InChIInChI=1S/C26H18N4S/c1-2-10-20(11-3-1)29-18-22(27-28-29)19-9-8-12-21(17-19)30-23-13-4-6-15-25(23)31-26-16-7-5-14-24(26)30/h1-18H
InChIKeyIEIZIOIRJNXJMS-UHFFFAOYSA-N
XLogP6.87
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.53
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-[3-(1-phenyltriazol-4-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-[3-(1-phenyltriazol-4-yl)phenyl]phenothiazine?
The IUPAC name of 10-[3-(1-phenyltriazol-4-yl)phenyl]phenothiazine (CID 118303730) is 10-[3-(1-phenyltriazol-4-yl)phenyl]phenothiazine.
What is the SMILES notation for 10-[3-(1-phenyltriazol-4-yl)phenyl]phenothiazine?
The canonical SMILES for 10-[3-(1-phenyltriazol-4-yl)phenyl]phenothiazine is c1ccc(-n2cc(-c3cccc(N4c5ccccc5Sc5ccccc54)c3)nn2)cc1.
What is the InChIKey of 10-[3-(1-phenyltriazol-4-yl)phenyl]phenothiazine?
The InChIKey is IEIZIOIRJNXJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4S/c1-2-10-20(11-3-1)29-18-22(27-28-29)19-9-8-12-21(17-19)30-23-13-4-6-15-25(23)31-26-16-7-5-14-24(26)30/h1-18H.
What are the key properties of 10-[3-(1-phenyltriazol-4-yl)phenyl]phenothiazine?
10-[3-(1-phenyltriazol-4-yl)phenyl]phenothiazine has a molecular weight of 418.53 g/mol, XLogP of 6.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(1-phenyltriazol-4-yl)phenyl]phenothiazine is sourced from PubChem (CID 118303730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).