1-anthracen-1-ylperoxyanthracene

C28H18O2 — CID 87977353

IUPAC1-anthracen-1-ylperoxyanthracene
SMILESc1ccc2cc3c(OOc4cccc5cc6ccccc6cc45)cccc3cc2c1
InChIInChI=1S/C28H18O2/c1-3-9-21-17-25-23(15-19(21)7-1)11-5-13-27(25)29-30-28-14-6-12-24-16-20-8-2-4-10-22(20)18-26(24)28/h1-18H
InChIKeyBIPZABPQZORVMH-UHFFFAOYSA-N
MW386.45 g/mol
LogP7.67
Rot. Bonds3

About 1-anthracen-1-ylperoxyanthracene

1-anthracen-1-ylperoxyanthracene (PubChem CID 87977353) has the molecular formula C28H18O2 and a molecular weight of 386.45 g/mol. Its IUPAC name is 1-anthracen-1-ylperoxyanthracene.

Molecular Properties

Compound Name1-anthracen-1-ylperoxyanthracene
PubChem CID87977353
Molecular FormulaC28H18O2
Molecular Weight386.45 g/mol
Exact Mass386.13
IUPAC Name1-anthracen-1-ylperoxyanthracene
SMILESc1ccc2cc3c(OOc4cccc5cc6ccccc6cc45)cccc3cc2c1
InChIInChI=1S/C28H18O2/c1-3-9-21-17-25-23(15-19(21)7-1)11-5-13-27(25)29-30-28-14-6-12-24-16-20-8-2-4-10-22(20)18-26(24)28/h1-18H
InChIKeyBIPZABPQZORVMH-UHFFFAOYSA-N
XLogP7.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

anthracen-1-yl formate
CID 22404669
1-iodosulfonyloxyanthracene
CID 174474956
1-prop-2-enoxyanthracene
CID 141089148
1-(1-phenylethoxy)anthracene
CID 87845539
anthracen-1-yl anthracene-1-sulfonate
CID 174423512
1-nonoxyanthracene
CID 86193569
anthracen-1-yl naphthalene-2-carboxylate
CID 151830595
dianthracen-1-yl 3,6-dioxocyclohexa-1,4-diene-1,2-disulfonate
CID 174450119
1-(3-phenylsulfanylpropoxy)anthracene
CID 158373238
magnesium;anthracen-1-yl ethenesulfonate;hydride
CID 174836320
anthracen-1-yl 4-hydroxybenzoate
CID 159973907
heptacen-1-ol
CID 150633624

Frequently Asked Questions

What is the IUPAC name of 1-anthracen-1-ylperoxyanthracene?
The IUPAC name of 1-anthracen-1-ylperoxyanthracene (CID 87977353) is 1-anthracen-1-ylperoxyanthracene.
What is the SMILES notation for 1-anthracen-1-ylperoxyanthracene?
The canonical SMILES for 1-anthracen-1-ylperoxyanthracene is c1ccc2cc3c(OOc4cccc5cc6ccccc6cc45)cccc3cc2c1.
What is the InChIKey of 1-anthracen-1-ylperoxyanthracene?
The InChIKey is BIPZABPQZORVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18O2/c1-3-9-21-17-25-23(15-19(21)7-1)11-5-13-27(25)29-30-28-14-6-12-24-16-20-8-2-4-10-22(20)18-26(24)28/h1-18H.
What are the key properties of 1-anthracen-1-ylperoxyanthracene?
1-anthracen-1-ylperoxyanthracene has a molecular weight of 386.45 g/mol, XLogP of 7.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anthracen-1-ylperoxyanthracene is sourced from PubChem (CID 87977353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).