diphenylmethanone;10H-phenothiazine

C25H19NOS — CID 175143888

IUPACdiphenylmethanone;10H-phenothiazine
SMILESO=C(c1ccccc1)c1ccccc1.c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C13H10O.C12H9NS/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-10H;1-8,13H
InChIKeyYIIZMYFGSARHCM-UHFFFAOYSA-N
MW381.50 g/mol
LogP6.81
Rot. Bonds2

About diphenylmethanone;10H-phenothiazine

diphenylmethanone;10H-phenothiazine (PubChem CID 175143888) has the molecular formula C25H19NOS and a molecular weight of 381.50 g/mol. Its IUPAC name is diphenylmethanone;10H-phenothiazine.

Molecular Properties

Compound Namediphenylmethanone;10H-phenothiazine
PubChem CID175143888
Molecular FormulaC25H19NOS
Molecular Weight381.50 g/mol
Exact Mass381.12
IUPAC Namediphenylmethanone;10H-phenothiazine
SMILESO=C(c1ccccc1)c1ccccc1.c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C13H10O.C12H9NS/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-10H;1-8,13H
InChIKeyYIIZMYFGSARHCM-UHFFFAOYSA-N
XLogP6.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.50
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10H-phenothiazine;1-phenylethenylbenzene
CID 174552079
(2-amino-10H-phenothiazin-1-yl)-phenylmethanone
CID 141187611
10H-phenothiazine-2-carboxylic acid;hydrochloride
CID 142625462
boric acid;10H-phenothiazine
CID 159987394
ethane;10H-phenothiazine
CID 90730014
copper;10H-phenothiazine;hydrochloride
CID 70634229
ethylcarbamic acid;10H-phenothiazine
CID 57349508
10H-phenothiazine-3-carboxamide
CID 153418714
diphenylmethanone
CID 3102
(E)-3H-1,3-benzothiazol-2-ylidene(phenyl)methanol
CID 163769087
diphenylmethanone;gold
CID 174931146
cobalt(2+);diphenylmethanone
CID 19033779

Frequently Asked Questions

What is the IUPAC name of diphenylmethanone;10H-phenothiazine?
The IUPAC name of diphenylmethanone;10H-phenothiazine (CID 175143888) is diphenylmethanone;10H-phenothiazine.
What is the SMILES notation for diphenylmethanone;10H-phenothiazine?
The canonical SMILES for diphenylmethanone;10H-phenothiazine is O=C(c1ccccc1)c1ccccc1.c1ccc2c(c1)Nc1ccccc1S2.
What is the InChIKey of diphenylmethanone;10H-phenothiazine?
The InChIKey is YIIZMYFGSARHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C12H9NS/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-10H;1-8,13H.
What are the key properties of diphenylmethanone;10H-phenothiazine?
diphenylmethanone;10H-phenothiazine has a molecular weight of 381.50 g/mol, XLogP of 6.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylmethanone;10H-phenothiazine is sourced from PubChem (CID 175143888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).