1-(4-ethenylphenyl)-10H-phenothiazine

C20H15NS — CID 57281785

IUPAC1-(4-ethenylphenyl)-10H-phenothiazine
SMILESC=Cc1ccc(-c2cccc3c2Nc2ccccc2S3)cc1
InChIInChI=1S/C20H15NS/c1-2-14-10-12-15(13-11-14)16-6-5-9-19-20(16)21-17-7-3-4-8-18(17)22-19/h2-13,21H,1H2
InChIKeyDIVRRJGUXGGBSD-UHFFFAOYSA-N
MW301.41 g/mol
LogP6.20
Rot. Bonds2

About 1-(4-ethenylphenyl)-10H-phenothiazine

1-(4-ethenylphenyl)-10H-phenothiazine (PubChem CID 57281785) has the molecular formula C20H15NS and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-(4-ethenylphenyl)-10H-phenothiazine.

Molecular Properties

Compound Name1-(4-ethenylphenyl)-10H-phenothiazine
PubChem CID57281785
Molecular FormulaC20H15NS
Molecular Weight301.41 g/mol
Exact Mass301.09
IUPAC Name1-(4-ethenylphenyl)-10H-phenothiazine
SMILESC=Cc1ccc(-c2cccc3c2Nc2ccccc2S3)cc1
InChIInChI=1S/C20H15NS/c1-2-14-10-12-15(13-11-14)16-6-5-9-19-20(16)21-17-7-3-4-8-18(17)22-19/h2-13,21H,1H2
InChIKeyDIVRRJGUXGGBSD-UHFFFAOYSA-N
XLogP6.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.41
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylphenyl)-10H-phenothiazine?
The IUPAC name of 1-(4-ethenylphenyl)-10H-phenothiazine (CID 57281785) is 1-(4-ethenylphenyl)-10H-phenothiazine.
What is the SMILES notation for 1-(4-ethenylphenyl)-10H-phenothiazine?
The canonical SMILES for 1-(4-ethenylphenyl)-10H-phenothiazine is C=Cc1ccc(-c2cccc3c2Nc2ccccc2S3)cc1.
What is the InChIKey of 1-(4-ethenylphenyl)-10H-phenothiazine?
The InChIKey is DIVRRJGUXGGBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NS/c1-2-14-10-12-15(13-11-14)16-6-5-9-19-20(16)21-17-7-3-4-8-18(17)22-19/h2-13,21H,1H2.
What are the key properties of 1-(4-ethenylphenyl)-10H-phenothiazine?
1-(4-ethenylphenyl)-10H-phenothiazine has a molecular weight of 301.41 g/mol, XLogP of 6.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylphenyl)-10H-phenothiazine is sourced from PubChem (CID 57281785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).