10H-phenothiazine;1-phenylethenylbenzene

C26H21NS — CID 174552079

IUPAC10H-phenothiazine;1-phenylethenylbenzene
SMILESC=C(c1ccccc1)c1ccccc1.c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C14H12.C12H9NS/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h2-11H,1H2;1-8,13H
InChIKeyAGCKCYKPFDCPNK-UHFFFAOYSA-N
MW379.53 g/mol
LogP7.64
Rot. Bonds2

About 10H-phenothiazine;1-phenylethenylbenzene

10H-phenothiazine;1-phenylethenylbenzene (PubChem CID 174552079) has the molecular formula C26H21NS and a molecular weight of 379.53 g/mol. Its IUPAC name is 10H-phenothiazine;1-phenylethenylbenzene.

Molecular Properties

Compound Name10H-phenothiazine;1-phenylethenylbenzene
PubChem CID174552079
Molecular FormulaC26H21NS
Molecular Weight379.53 g/mol
Exact Mass379.14
IUPAC Name10H-phenothiazine;1-phenylethenylbenzene
SMILESC=C(c1ccccc1)c1ccccc1.c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C14H12.C12H9NS/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h2-11H,1H2;1-8,13H
InChIKeyAGCKCYKPFDCPNK-UHFFFAOYSA-N
XLogP7.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.53
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

Analyze 10H-phenothiazine;1-phenylethenylbenzene 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

diphenylmethanone;10H-phenothiazine
CID 175143888
boric acid;10H-phenothiazine
CID 159987394
ethane;10H-phenothiazine
CID 90730014
copper;10H-phenothiazine;hydrochloride
CID 70634229
(E)-3H-1,3-benzothiazol-2-ylidene(phenyl)methanol
CID 163769087
1-phenylethenylbenzene;hydrochloride
CID 70400725
potassium 1-phenylethenylbenzene
CID 19358731
10H-phenothiazine-2-carboxylic acid;hydrochloride
CID 142625462
mercury(1+);1-phenylethenylbenzene;chloride
CID 171374959
6-methylidene-5H-benzo[b][1,4]benzothiazepine
CID 4227223
ethylcarbamic acid;10H-phenothiazine
CID 57349508
10H-phenothiazine-3-carboxamide
CID 153418714

Frequently Asked Questions

What is the IUPAC name of 10H-phenothiazine;1-phenylethenylbenzene?
The IUPAC name of 10H-phenothiazine;1-phenylethenylbenzene (CID 174552079) is 10H-phenothiazine;1-phenylethenylbenzene.
What is the SMILES notation for 10H-phenothiazine;1-phenylethenylbenzene?
The canonical SMILES for 10H-phenothiazine;1-phenylethenylbenzene is C=C(c1ccccc1)c1ccccc1.c1ccc2c(c1)Nc1ccccc1S2.
What is the InChIKey of 10H-phenothiazine;1-phenylethenylbenzene?
The InChIKey is AGCKCYKPFDCPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12.C12H9NS/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h2-11H,1H2;1-8,13H.
What are the key properties of 10H-phenothiazine;1-phenylethenylbenzene?
10H-phenothiazine;1-phenylethenylbenzene has a molecular weight of 379.53 g/mol, XLogP of 7.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-phenothiazine;1-phenylethenylbenzene is sourced from PubChem (CID 174552079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).