2-phenoxazin-10-ylthianthrene 5,5,10,10-tetraoxide

C24H15NO5S2 — CID 144851825

IUPAC2-phenoxazin-10-ylthianthrene 5,5,10,10-tetraoxide
SMILESO=S1(=O)c2ccccc2S(=O)(=O)c2cc(N3c4ccccc4Oc4ccccc43)ccc21
InChIInChI=1S/C24H15NO5S2/c26-31(27)21-11-5-6-12-22(21)32(28,29)24-15-16(13-14-23(24)31)25-17-7-1-3-9-19(17)30-20-10-4-2-8-18(20)25/h1-15H
InChIKeyXUASJHQLQXDCHL-UHFFFAOYSA-N
MW461.52 g/mol
LogP5.24
Rot. Bonds1

About 2-phenoxazin-10-ylthianthrene 5,5,10,10-tetraoxide

2-phenoxazin-10-ylthianthrene 5,5,10,10-tetraoxide (PubChem CID 144851825) has the molecular formula C24H15NO5S2 and a molecular weight of 461.52 g/mol. Its IUPAC name is 2-phenoxazin-10-ylthianthrene 5,5,10,10-tetraoxide.

Molecular Properties

Compound Name2-phenoxazin-10-ylthianthrene 5,5,10,10-tetraoxide
PubChem CID144851825
Molecular FormulaC24H15NO5S2
Molecular Weight461.52 g/mol
Exact Mass461.04
IUPAC Name2-phenoxazin-10-ylthianthrene 5,5,10,10-tetraoxide
SMILESO=S1(=O)c2ccccc2S(=O)(=O)c2cc(N3c4ccccc4Oc4ccccc43)ccc21
InChIInChI=1S/C24H15NO5S2/c26-31(27)21-11-5-6-12-22(21)32(28,29)24-15-16(13-14-23(24)31)25-17-7-1-3-9-19(17)30-20-10-4-2-8-18(20)25/h1-15H
InChIKeyXUASJHQLQXDCHL-UHFFFAOYSA-N
XLogP5.24
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.52
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(9,9-dimethylacridin-10-yl)phenoxathiine 10,10-dioxide
CID 130397726
2-[5-(10,10-dioxophenoxathiin-2-yl)-7,7,14,14-tetraphenylquinolino[2,3-b]acridin-12-yl]phenoxathiine 10,10-dioxide
CID 130396372
3,3',7,7'-tetra(phenoxazin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide
CID 155771935
2,2',8,8'-tetra(phenoxazin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide
CID 155771876
2,6-di(phenoxazin-10-yl)anthracene-9,10-dione
CID 144761593
10-[4-bromo-3-(2-bromo-5-phenoxazin-10-ylphenyl)phenyl]phenoxazine
CID 177414701
10-triphenylen-2-ylphenothiazine 5,5-dioxide
CID 141391084
10-naphthalen-2-ylphenothiazine 5,5-dioxide
CID 141391078
10-(7-phenoxazin-10-yl-9,10-diphenylanthracen-2-yl)phenoxazine
CID 59220139
2-[6-(9,9-dimethylacridin-10-yl)-9,9-dimethylxanthen-3-yl]dibenzothiophene 5,5-dioxide
CID 134579078
10-(9-methyl-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine
CID 122608600
10-(4-fluorophenyl)phenoxazine
CID 141389969

Frequently Asked Questions

What is the IUPAC name of 2-phenoxazin-10-ylthianthrene 5,5,10,10-tetraoxide?
The IUPAC name of 2-phenoxazin-10-ylthianthrene 5,5,10,10-tetraoxide (CID 144851825) is 2-phenoxazin-10-ylthianthrene 5,5,10,10-tetraoxide.
What is the SMILES notation for 2-phenoxazin-10-ylthianthrene 5,5,10,10-tetraoxide?
The canonical SMILES for 2-phenoxazin-10-ylthianthrene 5,5,10,10-tetraoxide is O=S1(=O)c2ccccc2S(=O)(=O)c2cc(N3c4ccccc4Oc4ccccc43)ccc21.
What is the InChIKey of 2-phenoxazin-10-ylthianthrene 5,5,10,10-tetraoxide?
The InChIKey is XUASJHQLQXDCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15NO5S2/c26-31(27)21-11-5-6-12-22(21)32(28,29)24-15-16(13-14-23(24)31)25-17-7-1-3-9-19(17)30-20-10-4-2-8-18(20)25/h1-15H.
What are the key properties of 2-phenoxazin-10-ylthianthrene 5,5,10,10-tetraoxide?
2-phenoxazin-10-ylthianthrene 5,5,10,10-tetraoxide has a molecular weight of 461.52 g/mol, XLogP of 5.24, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxazin-10-ylthianthrene 5,5,10,10-tetraoxide is sourced from PubChem (CID 144851825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).