1,9-dithioniapentacyclo[7.6.6.02,8.010,15.016,21]henicosa-10,12,14,16,18,20-hexaene;bis(hexafluoroantimony(1-))

C19H20F12S2Sb2 — CID 16689515

IUPAC1,9-dithioniapentacyclo[7.6.6.02,8.010,15.016,21]henicosa-10,12,14,16,18,20-hexaene;bis(hexafluoroantimony(1-))
SMILESF[Sb-](F)(F)(F)(F)F.F[Sb-](F)(F)(F)(F)F.c1ccc2c(c1)[S+]1c3ccccc3[S+]2C2CCCCCC21
InChIInChI=1S/C19H20S2.12FH.2Sb/c1-2-8-14-15(9-3-1)21-18-12-6-4-10-16(18)20(14)17-11-5-7-13-19(17)21;;;;;;;;;;;;;;/h4-7,10-15H,1-3,8-9H2;12*1H;;/q+2;;;;;;;;;;;;;2*+5/p-12
InChIKeyRBMJTCXLOWEGPQ-UHFFFAOYSA-B
MW784.00 g/mol
LogP9.07
Rot. Bonds

About 1,9-dithioniapentacyclo[7.6.6.02,8.010,15.016,21]henicosa-10,12,14,16,18,20-hexaene;bis(hexafluoroantimony(1-))

1,9-dithioniapentacyclo[7.6.6.02,8.010,15.016,21]henicosa-10,12,14,16,18,20-hexaene;bis(hexafluoroantimony(1-)) (PubChem CID 16689515) has the molecular formula C19H20F12S2Sb2 and a molecular weight of 784.00 g/mol. Its IUPAC name is 1,9-dithioniapentacyclo[7.6.6.02,8.010,15.016,21]henicosa-10,12,14,16,18,20-hexaene;bis(hexafluoroantimony(1-)).

Molecular Properties

Compound Name1,9-dithioniapentacyclo[7.6.6.02,8.010,15.016,21]henicosa-10,12,14,16,18,20-hexaene;bis(hexafluoroantimony(1-))
PubChem CID16689515
Molecular FormulaC19H20F12S2Sb2
Molecular Weight784.00 g/mol
Exact Mass781.89
IUPAC Name1,9-dithioniapentacyclo[7.6.6.02,8.010,15.016,21]henicosa-10,12,14,16,18,20-hexaene;bis(hexafluoroantimony(1-))
SMILESF[Sb-](F)(F)(F)(F)F.F[Sb-](F)(F)(F)(F)F.c1ccc2c(c1)[S+]1c3ccccc3[S+]2C2CCCCCC21
InChIInChI=1S/C19H20S2.12FH.2Sb/c1-2-8-14-15(9-3-1)21-18-12-6-4-10-16(18)20(14)17-11-5-7-13-19(17)21;;;;;;;;;;;;;;/h4-7,10-15H,1-3,8-9H2;12*1H;;/q+2;;;;;;;;;;;;;2*+5/p-12
InChIKeyRBMJTCXLOWEGPQ-UHFFFAOYSA-B
XLogP9.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.00
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,9-dithioniapentacyclo[7.6.6.02,8.010,15.016,21]henicosa-10,12,14,16,18,20-hexaene;bis(hexafluoroantimony(1-))?
The IUPAC name of 1,9-dithioniapentacyclo[7.6.6.02,8.010,15.016,21]henicosa-10,12,14,16,18,20-hexaene;bis(hexafluoroantimony(1-)) (CID 16689515) is 1,9-dithioniapentacyclo[7.6.6.02,8.010,15.016,21]henicosa-10,12,14,16,18,20-hexaene;bis(hexafluoroantimony(1-)).
What is the SMILES notation for 1,9-dithioniapentacyclo[7.6.6.02,8.010,15.016,21]henicosa-10,12,14,16,18,20-hexaene;bis(hexafluoroantimony(1-))?
The canonical SMILES for 1,9-dithioniapentacyclo[7.6.6.02,8.010,15.016,21]henicosa-10,12,14,16,18,20-hexaene;bis(hexafluoroantimony(1-)) is F[Sb-](F)(F)(F)(F)F.F[Sb-](F)(F)(F)(F)F.c1ccc2c(c1)[S+]1c3ccccc3[S+]2C2CCCCCC21.
What is the InChIKey of 1,9-dithioniapentacyclo[7.6.6.02,8.010,15.016,21]henicosa-10,12,14,16,18,20-hexaene;bis(hexafluoroantimony(1-))?
The InChIKey is RBMJTCXLOWEGPQ-UHFFFAOYSA-B. The full InChI is InChI=1S/C19H20S2.12FH.2Sb/c1-2-8-14-15(9-3-1)21-18-12-6-4-10-16(18)20(14)17-11-5-7-13-19(17)21;;;;;;;;;;;;;;/h4-7,10-15H,1-3,8-9H2;12*1H;;/q+2;;;;;;;;;;;;;2*+5/p-12.
What are the key properties of 1,9-dithioniapentacyclo[7.6.6.02,8.010,15.016,21]henicosa-10,12,14,16,18,20-hexaene;bis(hexafluoroantimony(1-))?
1,9-dithioniapentacyclo[7.6.6.02,8.010,15.016,21]henicosa-10,12,14,16,18,20-hexaene;bis(hexafluoroantimony(1-)) has a molecular weight of 784.00 g/mol, XLogP of 9.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dithioniapentacyclo[7.6.6.02,8.010,15.016,21]henicosa-10,12,14,16,18,20-hexaene;bis(hexafluoroantimony(1-)) is sourced from PubChem (CID 16689515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).