2,6-di(phenoxazin-10-yl)anthracene-9,10-dione

C38H22N2O4 — CID 144761593

IUPAC2,6-di(phenoxazin-10-yl)anthracene-9,10-dione
SMILESO=C1c2ccc(N3c4ccccc4Oc4ccccc43)cc2C(=O)c2ccc(N3c4ccccc4Oc4ccccc43)cc21
InChIInChI=1S/C38H22N2O4/c41-37-26-20-18-24(40-31-11-3-7-15-35(31)44-36-16-8-4-12-32(36)40)22-28(26)38(42)25-19-17-23(21-27(25)37)39-29-9-1-5-13-33(29)43-34-14-6-2-10-30(34)39/h1-22H
InChIKeyGGOWWRQQFXWILC-UHFFFAOYSA-N
MW570.60 g/mol
LogP9.61
Rot. Bonds2

About 2,6-di(phenoxazin-10-yl)anthracene-9,10-dione

2,6-di(phenoxazin-10-yl)anthracene-9,10-dione (PubChem CID 144761593) has the molecular formula C38H22N2O4 and a molecular weight of 570.60 g/mol. Its IUPAC name is 2,6-di(phenoxazin-10-yl)anthracene-9,10-dione.

Molecular Properties

Compound Name2,6-di(phenoxazin-10-yl)anthracene-9,10-dione
PubChem CID144761593
Molecular FormulaC38H22N2O4
Molecular Weight570.60 g/mol
Exact Mass570.16
IUPAC Name2,6-di(phenoxazin-10-yl)anthracene-9,10-dione
SMILESO=C1c2ccc(N3c4ccccc4Oc4ccccc43)cc2C(=O)c2ccc(N3c4ccccc4Oc4ccccc43)cc21
InChIInChI=1S/C38H22N2O4/c41-37-26-20-18-24(40-31-11-3-7-15-35(31)44-36-16-8-4-12-32(36)40)22-28(26)38(42)25-19-17-23(21-27(25)37)39-29-9-1-5-13-33(29)43-34-14-6-2-10-30(34)39/h1-22H
InChIKeyGGOWWRQQFXWILC-UHFFFAOYSA-N
XLogP9.61
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.60
LogP ≤ 59.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

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-[4-bromo-3-(2-bromo-5-phenoxazin-10-ylphenyl)phenyl]phenoxazine
CID 177414701
10-[3,4-bis(4-methylphenyl)phenyl]phenoxazine
CID 58251267
10-[3,4-bis(4-ethylphenyl)phenyl]phenoxazine
CID 58251164
3-[3,5-bis(3-phenoxazin-10-ylphenoxazin-10-yl)phenyl]-10,10-dimethylanthracen-9-one
CID 142288177
2-phenoxazin-10-ylthianthrene 5,5,10,10-tetraoxide
CID 144851825
10-(9-methyl-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine
CID 122608600
2-(3-phenoxazin-10-ylphenyl)-5,6-diphenylisoindole-1,3-dione
CID 130395524
CID 146495452
CID 146495452
10-[4-[3-(4-phenoxazin-10-ylphenyl)sulfonylphenyl]sulfonylphenyl]phenoxazine
CID 122659967
10-(4-fluorophenyl)phenoxazine
CID 141389969

Frequently Asked Questions

What is the IUPAC name of 2,6-di(phenoxazin-10-yl)anthracene-9,10-dione?
The IUPAC name of 2,6-di(phenoxazin-10-yl)anthracene-9,10-dione (CID 144761593) is 2,6-di(phenoxazin-10-yl)anthracene-9,10-dione.
What is the SMILES notation for 2,6-di(phenoxazin-10-yl)anthracene-9,10-dione?
The canonical SMILES for 2,6-di(phenoxazin-10-yl)anthracene-9,10-dione is O=C1c2ccc(N3c4ccccc4Oc4ccccc43)cc2C(=O)c2ccc(N3c4ccccc4Oc4ccccc43)cc21.
What is the InChIKey of 2,6-di(phenoxazin-10-yl)anthracene-9,10-dione?
The InChIKey is GGOWWRQQFXWILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N2O4/c41-37-26-20-18-24(40-31-11-3-7-15-35(31)44-36-16-8-4-12-32(36)40)22-28(26)38(42)25-19-17-23(21-27(25)37)39-29-9-1-5-13-33(29)43-34-14-6-2-10-30(34)39/h1-22H.
What are the key properties of 2,6-di(phenoxazin-10-yl)anthracene-9,10-dione?
2,6-di(phenoxazin-10-yl)anthracene-9,10-dione has a molecular weight of 570.60 g/mol, XLogP of 9.61, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(phenoxazin-10-yl)anthracene-9,10-dione is sourced from PubChem (CID 144761593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).