1,8-diphenylanthracene-9,10-dione

C26H16O2 — CID 12637584

IUPAC1,8-diphenylanthracene-9,10-dione
SMILESO=C1c2cccc(-c3ccccc3)c2C(=O)c2c1cccc2-c1ccccc1
InChIInChI=1S/C26H16O2/c27-25-21-15-7-13-19(17-9-3-1-4-10-17)23(21)26(28)24-20(14-8-16-22(24)25)18-11-5-2-6-12-18/h1-16H
InChIKeyNIGRGQRELSODHZ-UHFFFAOYSA-N
MW360.41 g/mol
LogP5.80
Rot. Bonds2

About 1,8-diphenylanthracene-9,10-dione

1,8-diphenylanthracene-9,10-dione (PubChem CID 12637584) has the molecular formula C26H16O2 and a molecular weight of 360.41 g/mol. Its IUPAC name is 1,8-diphenylanthracene-9,10-dione.

Molecular Properties

Compound Name1,8-diphenylanthracene-9,10-dione
PubChem CID12637584
Molecular FormulaC26H16O2
Molecular Weight360.41 g/mol
Exact Mass360.12
IUPAC Name1,8-diphenylanthracene-9,10-dione
SMILESO=C1c2cccc(-c3ccccc3)c2C(=O)c2c1cccc2-c1ccccc1
InChIInChI=1S/C26H16O2/c27-25-21-15-7-13-19(17-9-3-1-4-10-17)23(21)26(28)24-20(14-8-16-22(24)25)18-11-5-2-6-12-18/h1-16H
InChIKeyNIGRGQRELSODHZ-UHFFFAOYSA-N
XLogP5.80
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.41
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,8-diphenylanthracene-9,10-dione?
The IUPAC name of 1,8-diphenylanthracene-9,10-dione (CID 12637584) is 1,8-diphenylanthracene-9,10-dione.
What is the SMILES notation for 1,8-diphenylanthracene-9,10-dione?
The canonical SMILES for 1,8-diphenylanthracene-9,10-dione is O=C1c2cccc(-c3ccccc3)c2C(=O)c2c1cccc2-c1ccccc1.
What is the InChIKey of 1,8-diphenylanthracene-9,10-dione?
The InChIKey is NIGRGQRELSODHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16O2/c27-25-21-15-7-13-19(17-9-3-1-4-10-17)23(21)26(28)24-20(14-8-16-22(24)25)18-11-5-2-6-12-18/h1-16H.
What are the key properties of 1,8-diphenylanthracene-9,10-dione?
1,8-diphenylanthracene-9,10-dione has a molecular weight of 360.41 g/mol, XLogP of 5.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-diphenylanthracene-9,10-dione is sourced from PubChem (CID 12637584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).