5,5'-dibromo-1,1'-spirobi[3H-2,1λ4-benzoxaselenole]

C14H10Br2O2Se — CID 102308032

IUPAC5,5'-dibromo-1,1'-spirobi[3H-2,1λ4-benzoxaselenole]
SMILESBrc1ccc2c(c1)CO[Se]21OCc2cc(Br)ccc21
InChIInChI=1S/C14H10Br2O2Se/c15-11-1-3-13-9(5-11)7-17-19(13)14-4-2-12(16)6-10(14)8-18-19/h1-6H,7-8H2
InChIKeyJHACKQIPKQMHGR-UHFFFAOYSA-N
MW449.00 g/mol
LogP2.83
Rot. Bonds

About 5,5'-dibromo-1,1'-spirobi[3H-2,1λ4-benzoxaselenole]

5,5'-dibromo-1,1'-spirobi[3H-2,1λ4-benzoxaselenole] (PubChem CID 102308032) has the molecular formula C14H10Br2O2Se and a molecular weight of 449.00 g/mol. Its IUPAC name is 5,5'-dibromo-1,1'-spirobi[3H-2,1λ4-benzoxaselenole].

Molecular Properties

Compound Name5,5'-dibromo-1,1'-spirobi[3H-2,1λ4-benzoxaselenole]
PubChem CID102308032
Molecular FormulaC14H10Br2O2Se
Molecular Weight449.00 g/mol
Exact Mass447.82
IUPAC Name5,5'-dibromo-1,1'-spirobi[3H-2,1λ4-benzoxaselenole]
SMILESBrc1ccc2c(c1)CO[Se]21OCc2cc(Br)ccc21
InChIInChI=1S/C14H10Br2O2Se/c15-11-1-3-13-9(5-11)7-17-19(13)14-4-2-12(16)6-10(14)8-18-19/h1-6H,7-8H2
InChIKeyJHACKQIPKQMHGR-UHFFFAOYSA-N
XLogP2.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.00
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 10866980
7-bromo-3,4-dihydro-1H-isochromene
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6-bromo-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 162045632
6-bromo-1,4-dihydronaphthalene
CID 170045023
(2S)-5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 93279299
5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 13301601
7-bromo-1H-2,3-benzoxazine
CID 140979274
6-bromo-1,1-dimethyl-3,4-dihydroisochromene
CID 139328426
6-bromospiro[1,2-dihydroindene-3,1'-cyclopropane];ethane
CID 145339117
8,16-dibromo-2,4-dioxatricyclo[12.4.0.05,10]octadeca-1(14),5(10),6,8,15,17-hexaene
CID 139060574
5-bromo-3H-isoindol-1-amine
CID 123363476
6-bromo-3-methyl-3,4-dihydro-2H-1,2-benzothiazine
CID 122538323

Frequently Asked Questions

What is the IUPAC name of 5,5'-dibromo-1,1'-spirobi[3H-2,1λ4-benzoxaselenole]?
The IUPAC name of 5,5'-dibromo-1,1'-spirobi[3H-2,1λ4-benzoxaselenole] (CID 102308032) is 5,5'-dibromo-1,1'-spirobi[3H-2,1λ4-benzoxaselenole].
What is the SMILES notation for 5,5'-dibromo-1,1'-spirobi[3H-2,1λ4-benzoxaselenole]?
The canonical SMILES for 5,5'-dibromo-1,1'-spirobi[3H-2,1λ4-benzoxaselenole] is Brc1ccc2c(c1)CO[Se]21OCc2cc(Br)ccc21.
What is the InChIKey of 5,5'-dibromo-1,1'-spirobi[3H-2,1λ4-benzoxaselenole]?
The InChIKey is JHACKQIPKQMHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2O2Se/c15-11-1-3-13-9(5-11)7-17-19(13)14-4-2-12(16)6-10(14)8-18-19/h1-6H,7-8H2.
What are the key properties of 5,5'-dibromo-1,1'-spirobi[3H-2,1λ4-benzoxaselenole]?
5,5'-dibromo-1,1'-spirobi[3H-2,1λ4-benzoxaselenole] has a molecular weight of 449.00 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5'-dibromo-1,1'-spirobi[3H-2,1λ4-benzoxaselenole] is sourced from PubChem (CID 102308032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).