6-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)sulfonylbenzo[c][2,1]benzoxaphosphinine 6-oxide

C24H16O6P2S — CID 155351564

IUPAC6-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)sulfonylbenzo[c][2,1]benzoxaphosphinine 6-oxide
SMILESO=P1(S(=O)(=O)P2(=O)Oc3ccccc3-c3ccccc32)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C24H16O6P2S/c25-31(23-15-7-3-11-19(23)17-9-1-5-13-21(17)29-31)33(27,28)32(26)24-16-8-4-12-20(24)18-10-2-6-14-22(18)30-32/h1-16H
InChIKeyXNPUBUOCBIIXPT-UHFFFAOYSA-N
MW494.40 g/mol
LogP5.56
Rot. Bonds2

About 6-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)sulfonylbenzo[c][2,1]benzoxaphosphinine 6-oxide

6-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)sulfonylbenzo[c][2,1]benzoxaphosphinine 6-oxide (PubChem CID 155351564) has the molecular formula C24H16O6P2S and a molecular weight of 494.40 g/mol. Its IUPAC name is 6-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)sulfonylbenzo[c][2,1]benzoxaphosphinine 6-oxide.

Molecular Properties

Compound Name6-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)sulfonylbenzo[c][2,1]benzoxaphosphinine 6-oxide
PubChem CID155351564
Molecular FormulaC24H16O6P2S
Molecular Weight494.40 g/mol
Exact Mass494.01
IUPAC Name6-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)sulfonylbenzo[c][2,1]benzoxaphosphinine 6-oxide
SMILESO=P1(S(=O)(=O)P2(=O)Oc3ccccc3-c3ccccc32)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C24H16O6P2S/c25-31(23-15-7-3-11-19(23)17-9-1-5-13-21(17)29-31)33(27,28)32(26)24-16-8-4-12-20(24)18-10-2-6-14-22(18)30-32/h1-16H
InChIKeyXNPUBUOCBIIXPT-UHFFFAOYSA-N
XLogP5.56
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.40
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)sulfonylbenzo[c][2,1]benzoxaphosphinine 6-oxide with MolForge

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Related Compounds

6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide;1,4-xylene
CID 158354295
CID 157451486
CID 157451486
6-methylbenzo[d][1,3,2]benzodioxaphosphepine 6-oxide
CID 90446218
methoxy-methyl-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphosphane
CID 123154087
N,N-bis[2-[bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]amino]ethyl]-N',N'-bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]ethane-1,2-diamine
CID 164746026
6-[4-[2-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenyl]ethyl]phenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 145489714
6-prop-2-ynylbenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 174185485
(6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)chloranium
CID 163915272
[3-[hydroxy-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]naphthalen-2-yl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol
CID 126498091
6-butan-2-ylbenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 71018079
ethane;6-methyl-6-methylidenebenzo[c][2,1]benzoxaphosphinine
CID 159397412
2,2-dimethyl-1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol
CID 14686892

Frequently Asked Questions

What is the IUPAC name of 6-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)sulfonylbenzo[c][2,1]benzoxaphosphinine 6-oxide?
The IUPAC name of 6-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)sulfonylbenzo[c][2,1]benzoxaphosphinine 6-oxide (CID 155351564) is 6-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)sulfonylbenzo[c][2,1]benzoxaphosphinine 6-oxide.
What is the SMILES notation for 6-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)sulfonylbenzo[c][2,1]benzoxaphosphinine 6-oxide?
The canonical SMILES for 6-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)sulfonylbenzo[c][2,1]benzoxaphosphinine 6-oxide is O=P1(S(=O)(=O)P2(=O)Oc3ccccc3-c3ccccc32)Oc2ccccc2-c2ccccc21.
What is the InChIKey of 6-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)sulfonylbenzo[c][2,1]benzoxaphosphinine 6-oxide?
The InChIKey is XNPUBUOCBIIXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16O6P2S/c25-31(23-15-7-3-11-19(23)17-9-1-5-13-21(17)29-31)33(27,28)32(26)24-16-8-4-12-20(24)18-10-2-6-14-22(18)30-32/h1-16H.
What are the key properties of 6-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)sulfonylbenzo[c][2,1]benzoxaphosphinine 6-oxide?
6-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)sulfonylbenzo[c][2,1]benzoxaphosphinine 6-oxide has a molecular weight of 494.40 g/mol, XLogP of 5.56, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)sulfonylbenzo[c][2,1]benzoxaphosphinine 6-oxide is sourced from PubChem (CID 155351564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).