10-[4-[3-(4-phenoxazin-10-ylphenyl)sulfonylphenyl]sulfonylphenyl]phenoxazine

C42H28N2O6S2 — CID 122659967

IUPAC10-[4-[3-(4-phenoxazin-10-ylphenyl)sulfonylphenyl]sulfonylphenyl]phenoxazine
SMILESO=S(=O)(c1ccc(N2c3ccccc3Oc3ccccc32)cc1)c1cccc(S(=O)(=O)c2ccc(N3c4ccccc4Oc4ccccc43)cc2)c1
InChIInChI=1S/C42H28N2O6S2/c45-51(46,31-24-20-29(21-25-31)43-35-12-1-5-16-39(35)49-40-17-6-2-13-36(40)43)33-10-9-11-34(28-33)52(47,48)32-26-22-30(23-27-32)44-37-14-3-7-18-41(37)50-42-19-8-4-15-38(42)44/h1-28H
InChIKeyKXOLSYSOXIYWIY-UHFFFAOYSA-N
MW720.83 g/mol
LogP10.50
Rot. Bonds6

About 10-[4-[3-(4-phenoxazin-10-ylphenyl)sulfonylphenyl]sulfonylphenyl]phenoxazine

10-[4-[3-(4-phenoxazin-10-ylphenyl)sulfonylphenyl]sulfonylphenyl]phenoxazine (PubChem CID 122659967) has the molecular formula C42H28N2O6S2 and a molecular weight of 720.83 g/mol. Its IUPAC name is 10-[4-[3-(4-phenoxazin-10-ylphenyl)sulfonylphenyl]sulfonylphenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[3-(4-phenoxazin-10-ylphenyl)sulfonylphenyl]sulfonylphenyl]phenoxazine
PubChem CID122659967
Molecular FormulaC42H28N2O6S2
Molecular Weight720.83 g/mol
Exact Mass720.14
IUPAC Name10-[4-[3-(4-phenoxazin-10-ylphenyl)sulfonylphenyl]sulfonylphenyl]phenoxazine
SMILESO=S(=O)(c1ccc(N2c3ccccc3Oc3ccccc32)cc1)c1cccc(S(=O)(=O)c2ccc(N3c4ccccc4Oc4ccccc43)cc2)c1
InChIInChI=1S/C42H28N2O6S2/c45-51(46,31-24-20-29(21-25-31)43-35-12-1-5-16-39(35)49-40-17-6-2-13-36(40)43)33-10-9-11-34(28-33)52(47,48)32-26-22-30(23-27-32)44-37-14-3-7-18-41(37)50-42-19-8-4-15-38(42)44/h1-28H
InChIKeyKXOLSYSOXIYWIY-UHFFFAOYSA-N
XLogP10.50
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.83
LogP ≤ 510.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 10-[4-[3-(4-phenoxazin-10-ylphenyl)sulfonylphenyl]sulfonylphenyl]phenoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-[4-(4-iodophenyl)sulfonylphenyl]phenoxazine
CID 141411363
10-[10-[4-(benzenesulfonyl)phenyl]anthracen-9-yl]phenoxazine
CID 145009259
10-[4-[4-[6-(4-propylphenoxy)hexoxy]phenyl]sulfonylphenyl]phenoxazine
CID 155187509
2,6-di(phenoxazin-10-yl)anthracene-9,10-dione
CID 144761593
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
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
2,2',8,8'-tetra(phenoxazin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide
CID 155771876
10-(3-methyl-5-phenoxazin-10-ylphenyl)phenoxazine
CID 145413452
10-[4-bromo-3-(2-bromo-5-phenoxazin-10-ylphenyl)phenyl]phenoxazine
CID 177414701

Frequently Asked Questions

What is the IUPAC name of 10-[4-[3-(4-phenoxazin-10-ylphenyl)sulfonylphenyl]sulfonylphenyl]phenoxazine?
The IUPAC name of 10-[4-[3-(4-phenoxazin-10-ylphenyl)sulfonylphenyl]sulfonylphenyl]phenoxazine (CID 122659967) is 10-[4-[3-(4-phenoxazin-10-ylphenyl)sulfonylphenyl]sulfonylphenyl]phenoxazine.
What is the SMILES notation for 10-[4-[3-(4-phenoxazin-10-ylphenyl)sulfonylphenyl]sulfonylphenyl]phenoxazine?
The canonical SMILES for 10-[4-[3-(4-phenoxazin-10-ylphenyl)sulfonylphenyl]sulfonylphenyl]phenoxazine is O=S(=O)(c1ccc(N2c3ccccc3Oc3ccccc32)cc1)c1cccc(S(=O)(=O)c2ccc(N3c4ccccc4Oc4ccccc43)cc2)c1.
What is the InChIKey of 10-[4-[3-(4-phenoxazin-10-ylphenyl)sulfonylphenyl]sulfonylphenyl]phenoxazine?
The InChIKey is KXOLSYSOXIYWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2O6S2/c45-51(46,31-24-20-29(21-25-31)43-35-12-1-5-16-39(35)49-40-17-6-2-13-36(40)43)33-10-9-11-34(28-33)52(47,48)32-26-22-30(23-27-32)44-37-14-3-7-18-41(37)50-42-19-8-4-15-38(42)44/h1-28H.
What are the key properties of 10-[4-[3-(4-phenoxazin-10-ylphenyl)sulfonylphenyl]sulfonylphenyl]phenoxazine?
10-[4-[3-(4-phenoxazin-10-ylphenyl)sulfonylphenyl]sulfonylphenyl]phenoxazine has a molecular weight of 720.83 g/mol, XLogP of 10.50, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[3-(4-phenoxazin-10-ylphenyl)sulfonylphenyl]sulfonylphenyl]phenoxazine is sourced from PubChem (CID 122659967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).