1-(2,2-dibromo-3-phenylcyclopropyl)tellanylnaphthalene

C19H14Br2Te — CID 10324698

IUPAC1-(2,2-dibromo-3-phenylcyclopropyl)tellanylnaphthalene
SMILESBrC1(Br)C([Te]c2cccc3ccccc23)C1c1ccccc1
InChIInChI=1S/C19H14Br2Te/c20-19(21)17(14-8-2-1-3-9-14)18(19)22-16-12-6-10-13-7-4-5-11-15(13)16/h1-12,17-18H
InChIKeyPAUOCLNEQCJIBF-UHFFFAOYSA-N
MW529.73 g/mol
LogP5.24
Rot. Bonds3

About 1-(2,2-dibromo-3-phenylcyclopropyl)tellanylnaphthalene

1-(2,2-dibromo-3-phenylcyclopropyl)tellanylnaphthalene (PubChem CID 10324698) has the molecular formula C19H14Br2Te and a molecular weight of 529.73 g/mol. Its IUPAC name is 1-(2,2-dibromo-3-phenylcyclopropyl)tellanylnaphthalene.

Molecular Properties

Compound Name1-(2,2-dibromo-3-phenylcyclopropyl)tellanylnaphthalene
PubChem CID10324698
Molecular FormulaC19H14Br2Te
Molecular Weight529.73 g/mol
Exact Mass529.85
IUPAC Name1-(2,2-dibromo-3-phenylcyclopropyl)tellanylnaphthalene
SMILESBrC1(Br)C([Te]c2cccc3ccccc23)C1c1ccccc1
InChIInChI=1S/C19H14Br2Te/c20-19(21)17(14-8-2-1-3-9-14)18(19)22-16-12-6-10-13-7-4-5-11-15(13)16/h1-12,17-18H
InChIKeyPAUOCLNEQCJIBF-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.73
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dibromo-3-phenylcyclopropyl)tellanylnaphthalene?
The IUPAC name of 1-(2,2-dibromo-3-phenylcyclopropyl)tellanylnaphthalene (CID 10324698) is 1-(2,2-dibromo-3-phenylcyclopropyl)tellanylnaphthalene.
What is the SMILES notation for 1-(2,2-dibromo-3-phenylcyclopropyl)tellanylnaphthalene?
The canonical SMILES for 1-(2,2-dibromo-3-phenylcyclopropyl)tellanylnaphthalene is BrC1(Br)C([Te]c2cccc3ccccc23)C1c1ccccc1.
What is the InChIKey of 1-(2,2-dibromo-3-phenylcyclopropyl)tellanylnaphthalene?
The InChIKey is PAUOCLNEQCJIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Br2Te/c20-19(21)17(14-8-2-1-3-9-14)18(19)22-16-12-6-10-13-7-4-5-11-15(13)16/h1-12,17-18H.
What are the key properties of 1-(2,2-dibromo-3-phenylcyclopropyl)tellanylnaphthalene?
1-(2,2-dibromo-3-phenylcyclopropyl)tellanylnaphthalene has a molecular weight of 529.73 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dibromo-3-phenylcyclopropyl)tellanylnaphthalene is sourced from PubChem (CID 10324698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).