1,5-diphenoxyanthracene-9,10-dione

C26H16O4 — CID 6699

IUPAC1,5-diphenoxyanthracene-9,10-dione
SMILESO=C1c2cccc(Oc3ccccc3)c2C(=O)c2cccc(Oc3ccccc3)c21
InChIInChI=1S/C26H16O4/c27-25-20-14-8-16-22(30-18-11-5-2-6-12-18)24(20)26(28)19-13-7-15-21(23(19)25)29-17-9-3-1-4-10-17/h1-16H
InChIKeyGSNYYYXHQZHEFP-UHFFFAOYSA-N
MW392.41 g/mol
LogP6.05
Rot. Bonds4

About 1,5-diphenoxyanthracene-9,10-dione

1,5-diphenoxyanthracene-9,10-dione (PubChem CID 6699) has the molecular formula C26H16O4 and a molecular weight of 392.41 g/mol. Its IUPAC name is 1,5-diphenoxyanthracene-9,10-dione.

Molecular Properties

Compound Name1,5-diphenoxyanthracene-9,10-dione
PubChem CID6699
Molecular FormulaC26H16O4
Molecular Weight392.41 g/mol
Exact Mass392.10
IUPAC Name1,5-diphenoxyanthracene-9,10-dione
SMILESO=C1c2cccc(Oc3ccccc3)c2C(=O)c2cccc(Oc3ccccc3)c21
InChIInChI=1S/C26H16O4/c27-25-20-14-8-16-22(30-18-11-5-2-6-12-18)24(20)26(28)19-13-7-15-21(23(19)25)29-17-9-3-1-4-10-17/h1-16H
InChIKeyGSNYYYXHQZHEFP-UHFFFAOYSA-N
XLogP6.05
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.41
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Beta-Naphthoflavone
CID 2361
Alpha-Naphthoflavone
CID 11790
Cra 13
CID 9799417
1,4-Dimethoxyanthraquinone
CID 266054
C.I. Vat Green 1
CID 31410
3-Methoxy-7H-benz(de)anthracen-7-one
CID 77267
3',4'-Dimethoxy-alpha-naphthoflavone
CID 276138
8-O-Methyltetrangomycin
CID 10019885
1-Methoxy-9,10-anthracenedione
CID 6707
MM 47755
CID 164046
4'-Isopropylflavone
CID 2802462
1,8-Diphenoxyanthraquinone
CID 66501

Frequently Asked Questions

What is the IUPAC name of 1,5-diphenoxyanthracene-9,10-dione?
The IUPAC name of 1,5-diphenoxyanthracene-9,10-dione (CID 6699) is 1,5-diphenoxyanthracene-9,10-dione.
What is the SMILES notation for 1,5-diphenoxyanthracene-9,10-dione?
The canonical SMILES for 1,5-diphenoxyanthracene-9,10-dione is O=C1c2cccc(Oc3ccccc3)c2C(=O)c2cccc(Oc3ccccc3)c21.
What is the InChIKey of 1,5-diphenoxyanthracene-9,10-dione?
The InChIKey is GSNYYYXHQZHEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16O4/c27-25-20-14-8-16-22(30-18-11-5-2-6-12-18)24(20)26(28)19-13-7-15-21(23(19)25)29-17-9-3-1-4-10-17/h1-16H.
What are the key properties of 1,5-diphenoxyanthracene-9,10-dione?
1,5-diphenoxyanthracene-9,10-dione has a molecular weight of 392.41 g/mol, XLogP of 6.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenoxyanthracene-9,10-dione is sourced from PubChem (CID 6699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).