1-(dibromomethylidene)-2H-anthracene-9,10-dione

C15H8Br2O2 — CID 141111128

IUPAC1-(dibromomethylidene)-2H-anthracene-9,10-dione
SMILESO=C1C2=C(C(=O)c3ccccc31)C(=C(Br)Br)CC=C2
InChIInChI=1S/C15H8Br2O2/c16-15(17)11-7-3-6-10-12(11)14(19)9-5-2-1-4-8(9)13(10)18/h1-6H,7H2
InChIKeyFIKNOGAUTZIFMR-UHFFFAOYSA-N
MW380.04 g/mol
LogP4.32
Rot. Bonds

About 1-(dibromomethylidene)-2H-anthracene-9,10-dione

1-(dibromomethylidene)-2H-anthracene-9,10-dione (PubChem CID 141111128) has the molecular formula C15H8Br2O2 and a molecular weight of 380.04 g/mol. Its IUPAC name is 1-(dibromomethylidene)-2H-anthracene-9,10-dione.

Molecular Properties

Compound Name1-(dibromomethylidene)-2H-anthracene-9,10-dione
PubChem CID141111128
Molecular FormulaC15H8Br2O2
Molecular Weight380.04 g/mol
Exact Mass377.89
IUPAC Name1-(dibromomethylidene)-2H-anthracene-9,10-dione
SMILESO=C1C2=C(C(=O)c3ccccc31)C(=C(Br)Br)CC=C2
InChIInChI=1S/C15H8Br2O2/c16-15(17)11-7-3-6-10-12(11)14(19)9-5-2-1-4-8(9)13(10)18/h1-6H,7H2
InChIKeyFIKNOGAUTZIFMR-UHFFFAOYSA-N
XLogP4.32
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.04
LogP ≤ 54.32
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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Related Compounds

2H-anthracene-1,9,10-trione
CID 53433123
8H-cyclohepta[b]naphthalene-5,11-dione
CID 142997660
3,4-dihydrocyclopenta[a]naphthalen-5-one
CID 22341653
1-chloro-1,2-dihydroanthracene-9,10-dione
CID 89138796
2-cyclopenta-2,4-dien-1-ylideneindene-1,3-dione
CID 126552144
CID 158261979
CID 158261979
12-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),8,12,14-pentaen-6-one
CID 143013799
anthracene-1,2,4,9,10-pentone
CID 68577943
2-hydroxy-2-methyl-1H-anthracene-9,10-dione
CID 175034303
phenanthrene-9,10-dione
CID 6763
CID 66807709
CID 66807709
lithium;anthracene-9,10-dione;hydride
CID 174683199

Frequently Asked Questions

What is the IUPAC name of 1-(dibromomethylidene)-2H-anthracene-9,10-dione?
The IUPAC name of 1-(dibromomethylidene)-2H-anthracene-9,10-dione (CID 141111128) is 1-(dibromomethylidene)-2H-anthracene-9,10-dione.
What is the SMILES notation for 1-(dibromomethylidene)-2H-anthracene-9,10-dione?
The canonical SMILES for 1-(dibromomethylidene)-2H-anthracene-9,10-dione is O=C1C2=C(C(=O)c3ccccc31)C(=C(Br)Br)CC=C2.
What is the InChIKey of 1-(dibromomethylidene)-2H-anthracene-9,10-dione?
The InChIKey is FIKNOGAUTZIFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Br2O2/c16-15(17)11-7-3-6-10-12(11)14(19)9-5-2-1-4-8(9)13(10)18/h1-6H,7H2.
What are the key properties of 1-(dibromomethylidene)-2H-anthracene-9,10-dione?
1-(dibromomethylidene)-2H-anthracene-9,10-dione has a molecular weight of 380.04 g/mol, XLogP of 4.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dibromomethylidene)-2H-anthracene-9,10-dione is sourced from PubChem (CID 141111128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).