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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Related Compounds

14-dibenzofuran-2-yl-8-thia-1,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 118443231
2-phenoxazin-10-ylchromeno[3,2-b]xanthene-12,14-dione
CID 164765277
2-(8-phenoxazin-10-yl-10-phenylphenothiazin-3-yl)xanthen-9-one
CID 142288504
3-spiro[acridine-9,9'-thioxanthene]-10-ylxanthen-9-one
CID 121337039
14-[7-(10-oxa-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)triphenylen-2-yl]-10-oxa-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 139459653
2-[3-[3-(13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]phenyl]xanthen-9-one
CID 177106384
3-(9,9-dimethylacridin-10-yl)chromeno[3,2-b]xanthene-12,14-dione
CID 164765363
10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenothiazine;10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine
CID 159949835
10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine
CID 141449755
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-10-(3-phenylphenyl)phenothiazine
CID 134475884
5-methyl-10-[16-(10-methylphenazin-5-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenazine
CID 59146950
11-tert-butyl-5,17-di(phenothiazin-10-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione
CID 165100873

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).