1-(4-phenothiazin-10-ylphenyl)ethanone

C20H15NOS — CID 86206499

IUPAC1-(4-phenothiazin-10-ylphenyl)ethanone
SMILESCC(=O)c1ccc(N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C20H15NOS/c1-14(22)15-10-12-16(13-11-15)21-17-6-2-4-8-19(17)23-20-9-5-3-7-18(20)21/h2-13H,1H3
InChIKeyKOQYJWZFFJPRNP-UHFFFAOYSA-N
MW317.41 g/mol
LogP5.82
Rot. Bonds2

About 1-(4-phenothiazin-10-ylphenyl)ethanone

1-(4-phenothiazin-10-ylphenyl)ethanone (PubChem CID 86206499) has the molecular formula C20H15NOS and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-(4-phenothiazin-10-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-phenothiazin-10-ylphenyl)ethanone
PubChem CID86206499
Molecular FormulaC20H15NOS
Molecular Weight317.41 g/mol
Exact Mass317.09
IUPAC Name1-(4-phenothiazin-10-ylphenyl)ethanone
SMILESCC(=O)c1ccc(N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C20H15NOS/c1-14(22)15-10-12-16(13-11-15)21-17-6-2-4-8-19(17)23-20-9-5-3-7-18(20)21/h2-13H,1H3
InChIKeyKOQYJWZFFJPRNP-UHFFFAOYSA-N
XLogP5.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.41
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-phenothiazin-10-ylphenyl)ethanone 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

[4-(2-chlorophenothiazin-10-yl)phenyl]-phenylmethanone
CID 168665191
N,N-dimethyl-4-phenothiazin-10-ylaniline
CID 149200025
3-[(4-phenothiazin-10-ylphenyl)methylidene]-1-phenylpentane-1,4-dione
CID 91396647
(4-phenanthren-9-ylphenyl)-(4-phenothiazin-10-ylphenyl)methanone
CID 141434054
perchloric acid;10-phenylphenothiazine
CID 71365783
10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine
CID 141449755
N,N-diethyl-4-phenothiazin-10-ylaniline
CID 86145082
10-(4-butylphenyl)phenothiazine
CID 22381652
[4-[4-[N-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-4-(4-phenothiazin-10-ylphenyl)anilino]phenyl]phenyl] 2-methylprop-2-enoate
CID 58520094
1-[3-methyl-4-(2-methyl-4-phenothiazin-10-ylphenyl)phenyl]pentan-1-one
CID 140927748
2-acetyl-N-phenylphenothiazine-10-carboxamide
CID 4153875
10-(4-thiophen-2-ylphenyl)phenothiazine
CID 142724599

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenothiazin-10-ylphenyl)ethanone?
The IUPAC name of 1-(4-phenothiazin-10-ylphenyl)ethanone (CID 86206499) is 1-(4-phenothiazin-10-ylphenyl)ethanone.
What is the SMILES notation for 1-(4-phenothiazin-10-ylphenyl)ethanone?
The canonical SMILES for 1-(4-phenothiazin-10-ylphenyl)ethanone is CC(=O)c1ccc(N2c3ccccc3Sc3ccccc32)cc1.
What is the InChIKey of 1-(4-phenothiazin-10-ylphenyl)ethanone?
The InChIKey is KOQYJWZFFJPRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NOS/c1-14(22)15-10-12-16(13-11-15)21-17-6-2-4-8-19(17)23-20-9-5-3-7-18(20)21/h2-13H,1H3.
What are the key properties of 1-(4-phenothiazin-10-ylphenyl)ethanone?
1-(4-phenothiazin-10-ylphenyl)ethanone has a molecular weight of 317.41 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenothiazin-10-ylphenyl)ethanone is sourced from PubChem (CID 86206499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).