benzoyl benzenecarboperoxoate;2,3-diphenylanthracene-9,10-dione

C40H26O6 — CID 174818786

IUPACbenzoyl benzenecarboperoxoate;2,3-diphenylanthracene-9,10-dione
SMILESO=C(OOC(=O)c1ccccc1)c1ccccc1.O=C1c2ccccc2C(=O)c2cc(-c3ccccc3)c(-c3ccccc3)cc21
InChIInChI=1S/C26H16O2.C14H10O4/c27-25-19-13-7-8-14-20(19)26(28)24-16-22(18-11-5-2-6-12-18)21(15-23(24)25)17-9-3-1-4-10-17;15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-16H;1-10H
InChIKeyOIMLPYBKZYSZSZ-UHFFFAOYSA-N
MW602.64 g/mol
LogP8.41
Rot. Bonds4

About benzoyl benzenecarboperoxoate;2,3-diphenylanthracene-9,10-dione

benzoyl benzenecarboperoxoate;2,3-diphenylanthracene-9,10-dione (PubChem CID 174818786) has the molecular formula C40H26O6 and a molecular weight of 602.64 g/mol. Its IUPAC name is benzoyl benzenecarboperoxoate;2,3-diphenylanthracene-9,10-dione.

Molecular Properties

Compound Namebenzoyl benzenecarboperoxoate;2,3-diphenylanthracene-9,10-dione
PubChem CID174818786
Molecular FormulaC40H26O6
Molecular Weight602.64 g/mol
Exact Mass602.17
IUPAC Namebenzoyl benzenecarboperoxoate;2,3-diphenylanthracene-9,10-dione
SMILESO=C(OOC(=O)c1ccccc1)c1ccccc1.O=C1c2ccccc2C(=O)c2cc(-c3ccccc3)c(-c3ccccc3)cc21
InChIInChI=1S/C26H16O2.C14H10O4/c27-25-19-13-7-8-14-20(19)26(28)24-16-22(18-11-5-2-6-12-18)21(15-23(24)25)17-9-3-1-4-10-17;15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-16H;1-10H
InChIKeyOIMLPYBKZYSZSZ-UHFFFAOYSA-N
XLogP8.41
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.64
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,3-diphenylfluoren-9-one
CID 102493574
benzoyl benzenecarboperoxoate;hydron
CID 20524010
CID 19766641
CID 19766641
argon;benzoyl benzenecarboperoxoate
CID 161437596
benzoyl benzenecarboperoxoate;trioxirane
CID 174834892
dibenzoyl 9-oxofluorene-2,7-dicarboxylate
CID 118088324
benzenecarboperoxoic acid;benzoyl benzenecarboperoxoate
CID 87835991
benzoyl benzenecarboperoxoate;1-phenylethanone
CID 158043567
2-ethylanthracene-9,10-dione;phenyl-(4-phenylphenyl)methanone
CID 158395442
lithium;9,10-dioxoanthracene-2-carboxylic acid;hydride
CID 174801705
9,10-dioxoanthracene-2-carboxylic acid;gold
CID 175791261
9-oxo-1,4-diphenylfluorene-3-carboxylic acid
CID 141295557

Frequently Asked Questions

What is the IUPAC name of benzoyl benzenecarboperoxoate;2,3-diphenylanthracene-9,10-dione?
The IUPAC name of benzoyl benzenecarboperoxoate;2,3-diphenylanthracene-9,10-dione (CID 174818786) is benzoyl benzenecarboperoxoate;2,3-diphenylanthracene-9,10-dione.
What is the SMILES notation for benzoyl benzenecarboperoxoate;2,3-diphenylanthracene-9,10-dione?
The canonical SMILES for benzoyl benzenecarboperoxoate;2,3-diphenylanthracene-9,10-dione is O=C(OOC(=O)c1ccccc1)c1ccccc1.O=C1c2ccccc2C(=O)c2cc(-c3ccccc3)c(-c3ccccc3)cc21.
What is the InChIKey of benzoyl benzenecarboperoxoate;2,3-diphenylanthracene-9,10-dione?
The InChIKey is OIMLPYBKZYSZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16O2.C14H10O4/c27-25-19-13-7-8-14-20(19)26(28)24-16-22(18-11-5-2-6-12-18)21(15-23(24)25)17-9-3-1-4-10-17;15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-16H;1-10H.
What are the key properties of benzoyl benzenecarboperoxoate;2,3-diphenylanthracene-9,10-dione?
benzoyl benzenecarboperoxoate;2,3-diphenylanthracene-9,10-dione has a molecular weight of 602.64 g/mol, XLogP of 8.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyl benzenecarboperoxoate;2,3-diphenylanthracene-9,10-dione is sourced from PubChem (CID 174818786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).