10-[4-(4-iodophenyl)sulfonylphenyl]phenoxazine

C24H16INO3S — CID 141411363

IUPAC10-[4-(4-iodophenyl)sulfonylphenyl]phenoxazine
SMILESO=S(=O)(c1ccc(I)cc1)c1ccc(N2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C24H16INO3S/c25-17-9-13-19(14-10-17)30(27,28)20-15-11-18(12-16-20)26-21-5-1-3-7-23(21)29-24-8-4-2-6-22(24)26/h1-16H
InChIKeyXGXLMVSRPFIGAH-UHFFFAOYSA-N
MW525.37 g/mol
LogP6.70
Rot. Bonds3

About 10-[4-(4-iodophenyl)sulfonylphenyl]phenoxazine

10-[4-(4-iodophenyl)sulfonylphenyl]phenoxazine (PubChem CID 141411363) has the molecular formula C24H16INO3S and a molecular weight of 525.37 g/mol. Its IUPAC name is 10-[4-(4-iodophenyl)sulfonylphenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-(4-iodophenyl)sulfonylphenyl]phenoxazine
PubChem CID141411363
Molecular FormulaC24H16INO3S
Molecular Weight525.37 g/mol
Exact Mass524.99
IUPAC Name10-[4-(4-iodophenyl)sulfonylphenyl]phenoxazine
SMILESO=S(=O)(c1ccc(I)cc1)c1ccc(N2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C24H16INO3S/c25-17-9-13-19(14-10-17)30(27,28)20-15-11-18(12-16-20)26-21-5-1-3-7-23(21)29-24-8-4-2-6-22(24)26/h1-16H
InChIKeyXGXLMVSRPFIGAH-UHFFFAOYSA-N
XLogP6.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.37
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

10-[4-[3-(4-phenoxazin-10-ylphenyl)sulfonylphenyl]sulfonylphenyl]phenoxazine
CID 122659967
10-[4-[4-[6-(4-propylphenoxy)hexoxy]phenyl]sulfonylphenyl]phenoxazine
CID 155187509
10-(4-fluorophenyl)phenoxazine
CID 141389969
ethane;10-phenylphenoxazine
CID 123756019
10-[4-[4-[6-(4-butan-2-ylphenoxy)hexoxy]phenyl]sulfonylphenyl]phenoxazine
CID 155187506
10-[10-[4-(benzenesulfonyl)phenyl]anthracen-9-yl]phenoxazine
CID 145009259
2,6-di(phenoxazin-10-yl)anthracene-9,10-dione
CID 144761593
10-(3,5-dimethylphenyl)-3-iodophenoxazine
CID 145383930
2,9,9-trimethyl-10-[4-[4-(2,9,9-trimethylacridin-10-yl)phenyl]sulfonylphenyl]acridine
CID 132504403
3,3',7,7'-tetra(phenoxazin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide
CID 155771935
10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528356
2,2',8,8'-tetra(phenoxazin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide
CID 155771876

Frequently Asked Questions

What is the IUPAC name of 10-[4-(4-iodophenyl)sulfonylphenyl]phenoxazine?
The IUPAC name of 10-[4-(4-iodophenyl)sulfonylphenyl]phenoxazine (CID 141411363) is 10-[4-(4-iodophenyl)sulfonylphenyl]phenoxazine.
What is the SMILES notation for 10-[4-(4-iodophenyl)sulfonylphenyl]phenoxazine?
The canonical SMILES for 10-[4-(4-iodophenyl)sulfonylphenyl]phenoxazine is O=S(=O)(c1ccc(I)cc1)c1ccc(N2c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of 10-[4-(4-iodophenyl)sulfonylphenyl]phenoxazine?
The InChIKey is XGXLMVSRPFIGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16INO3S/c25-17-9-13-19(14-10-17)30(27,28)20-15-11-18(12-16-20)26-21-5-1-3-7-23(21)29-24-8-4-2-6-22(24)26/h1-16H.
What are the key properties of 10-[4-(4-iodophenyl)sulfonylphenyl]phenoxazine?
10-[4-(4-iodophenyl)sulfonylphenyl]phenoxazine has a molecular weight of 525.37 g/mol, XLogP of 6.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(4-iodophenyl)sulfonylphenyl]phenoxazine is sourced from PubChem (CID 141411363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).