7,7-diphenyl-3,5-diselena-1,2,4,6-tetraphospha-7-phosphoniatricyclo[2.2.1.02,6]heptane

C12H10P5Se2+ — CID 102104668

IUPAC7,7-diphenyl-3,5-diselena-1,2,4,6-tetraphospha-7-phosphoniatricyclo[2.2.1.02,6]heptane
SMILESc1ccc([P+]2(c3ccccc3)p3[se]p4p2p4[se]3)cc1
InChIInChI=1S/C12H10P5Se2/c1-3-7-11(8-4-1)17(12-9-5-2-6-10-12)13-14-15(13)19-16(17)18-14/h1-10H/q+1
InChIKeyZSWJUWJTCWPLCL-UHFFFAOYSA-N
MW467.00 g/mol
LogP5.27
Rot. Bonds2

About 7,7-diphenyl-3,5-diselena-1,2,4,6-tetraphospha-7-phosphoniatricyclo[2.2.1.02,6]heptane

7,7-diphenyl-3,5-diselena-1,2,4,6-tetraphospha-7-phosphoniatricyclo[2.2.1.02,6]heptane (PubChem CID 102104668) has the molecular formula C12H10P5Se2+ and a molecular weight of 467.00 g/mol. Its IUPAC name is 7,7-diphenyl-3,5-diselena-1,2,4,6-tetraphospha-7-phosphoniatricyclo[2.2.1.02,6]heptane.

Molecular Properties

Compound Name7,7-diphenyl-3,5-diselena-1,2,4,6-tetraphospha-7-phosphoniatricyclo[2.2.1.02,6]heptane
PubChem CID102104668
Molecular FormulaC12H10P5Se2+
Molecular Weight467.00 g/mol
Exact Mass468.78
IUPAC Name7,7-diphenyl-3,5-diselena-1,2,4,6-tetraphospha-7-phosphoniatricyclo[2.2.1.02,6]heptane
SMILESc1ccc([P+]2(c3ccccc3)p3[se]p4p2p4[se]3)cc1
InChIInChI=1S/C12H10P5Se2/c1-3-7-11(8-4-1)17(12-9-5-2-6-10-12)13-14-15(13)19-16(17)18-14/h1-10H/q+1
InChIKeyZSWJUWJTCWPLCL-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.00
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,7-diphenyl-3,5-diselena-1,2,4,6-tetraphospha-7-phosphoniatricyclo[2.2.1.02,6]heptane?
The IUPAC name of 7,7-diphenyl-3,5-diselena-1,2,4,6-tetraphospha-7-phosphoniatricyclo[2.2.1.02,6]heptane (CID 102104668) is 7,7-diphenyl-3,5-diselena-1,2,4,6-tetraphospha-7-phosphoniatricyclo[2.2.1.02,6]heptane.
What is the SMILES notation for 7,7-diphenyl-3,5-diselena-1,2,4,6-tetraphospha-7-phosphoniatricyclo[2.2.1.02,6]heptane?
The canonical SMILES for 7,7-diphenyl-3,5-diselena-1,2,4,6-tetraphospha-7-phosphoniatricyclo[2.2.1.02,6]heptane is c1ccc([P+]2(c3ccccc3)p3[se]p4p2p4[se]3)cc1.
What is the InChIKey of 7,7-diphenyl-3,5-diselena-1,2,4,6-tetraphospha-7-phosphoniatricyclo[2.2.1.02,6]heptane?
The InChIKey is ZSWJUWJTCWPLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10P5Se2/c1-3-7-11(8-4-1)17(12-9-5-2-6-10-12)13-14-15(13)19-16(17)18-14/h1-10H/q+1.
What are the key properties of 7,7-diphenyl-3,5-diselena-1,2,4,6-tetraphospha-7-phosphoniatricyclo[2.2.1.02,6]heptane?
7,7-diphenyl-3,5-diselena-1,2,4,6-tetraphospha-7-phosphoniatricyclo[2.2.1.02,6]heptane has a molecular weight of 467.00 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-diphenyl-3,5-diselena-1,2,4,6-tetraphospha-7-phosphoniatricyclo[2.2.1.02,6]heptane is sourced from PubChem (CID 102104668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).