2-phenothiazin-10-ylxanthen-9-one

C25H15NO2S — CID 130397701

IUPAC2-phenothiazin-10-ylxanthen-9-one
SMILESO=c1c2ccccc2oc2ccc(N3c4ccccc4Sc4ccccc43)cc12
InChIInChI=1S/C25H15NO2S/c27-25-17-7-1-4-10-21(17)28-22-14-13-16(15-18(22)25)26-19-8-2-5-11-23(19)29-24-12-6-3-9-20(24)26/h1-15H
InChIKeyVWWGLANTFITSGO-UHFFFAOYSA-N
MW393.47 g/mol
LogP6.88
Rot. Bonds1

About 2-phenothiazin-10-ylxanthen-9-one

2-phenothiazin-10-ylxanthen-9-one (PubChem CID 130397701) has the molecular formula C25H15NO2S and a molecular weight of 393.47 g/mol. Its IUPAC name is 2-phenothiazin-10-ylxanthen-9-one.

Molecular Properties

Compound Name2-phenothiazin-10-ylxanthen-9-one
PubChem CID130397701
Molecular FormulaC25H15NO2S
Molecular Weight393.47 g/mol
Exact Mass393.08
IUPAC Name2-phenothiazin-10-ylxanthen-9-one
SMILESO=c1c2ccccc2oc2ccc(N3c4ccccc4Sc4ccccc43)cc12
InChIInChI=1S/C25H15NO2S/c27-25-17-7-1-4-10-21(17)28-22-14-13-16(15-18(22)25)26-19-8-2-5-11-23(19)29-24-12-6-3-9-20(24)26/h1-15H
InChIKeyVWWGLANTFITSGO-UHFFFAOYSA-N
XLogP6.88
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.47
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenothiazin-10-ylxanthen-9-one?
The IUPAC name of 2-phenothiazin-10-ylxanthen-9-one (CID 130397701) is 2-phenothiazin-10-ylxanthen-9-one.
What is the SMILES notation for 2-phenothiazin-10-ylxanthen-9-one?
The canonical SMILES for 2-phenothiazin-10-ylxanthen-9-one is O=c1c2ccccc2oc2ccc(N3c4ccccc4Sc4ccccc43)cc12.
What is the InChIKey of 2-phenothiazin-10-ylxanthen-9-one?
The InChIKey is VWWGLANTFITSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15NO2S/c27-25-17-7-1-4-10-21(17)28-22-14-13-16(15-18(22)25)26-19-8-2-5-11-23(19)29-24-12-6-3-9-20(24)26/h1-15H.
What are the key properties of 2-phenothiazin-10-ylxanthen-9-one?
2-phenothiazin-10-ylxanthen-9-one has a molecular weight of 393.47 g/mol, XLogP of 6.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenothiazin-10-ylxanthen-9-one is sourced from PubChem (CID 130397701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).