[2-[(1S,4R,6R,8R)-11,11-dimethyl-5-oxa-3-thiatricyclo[6.2.1.01,6]undecan-4-yl]phenyl]-dinaphthalen-1-ylphosphane;bis(hexafluoroantimony(1-));palladium(2+)

C37H35F12OPPdSSb2 — CID 16688871

IUPAC[2-[(1S,4R,6R,8R)-11,11-dimethyl-5-oxa-3-thiatricyclo[6.2.1.01,6]undecan-4-yl]phenyl]-dinaphthalen-1-ylphosphane;bis(hexafluoroantimony(1-));palladium(2+)
SMILESCC1(C)[C@@H]2CC[C@]13CS[C@H](c1ccccc1P(c1cccc4ccccc14)c1cccc4ccccc14)O[C@@H]3C2.F[Sb-](F)(F)(F)(F)F.F[Sb-](F)(F)(F)(F)F.[Pd+2]
InChIInChI=1S/C37H35OPS.12FH.Pd.2Sb/c1-36(2)27-21-22-37(36)24-40-35(38-34(37)23-27)30-17-7-8-18-33(30)39(31-19-9-13-25-11-3-5-15-28(25)31)32-20-10-14-26-12-4-6-16-29(26)32;;;;;;;;;;;;;;;/h3-20,27,34-35H,21-24H2,1-2H3;12*1H;;;/q;;;;;;;;;;;;;+2;2*+5/p-12/t27-,34-,35-,37-;;;;;;;;;;;;;;;/m1.............../s1
InChIKeyIPPBPUHHILGWIP-QSIAVZIUSA-B
MW1136.64 g/mol
LogP12.99
Rot. Bonds4

About [2-[(1S,4R,6R,8R)-11,11-dimethyl-5-oxa-3-thiatricyclo[6.2.1.01,6]undecan-4-yl]phenyl]-dinaphthalen-1-ylphosphane;bis(hexafluoroantimony(1-));palladium(2+)

[2-[(1S,4R,6R,8R)-11,11-dimethyl-5-oxa-3-thiatricyclo[6.2.1.01,6]undecan-4-yl]phenyl]-dinaphthalen-1-ylphosphane;bis(hexafluoroantimony(1-));palladium(2+) (PubChem CID 16688871) has the molecular formula C37H35F12OPPdSSb2 and a molecular weight of 1136.64 g/mol. Its IUPAC name is [2-[(1S,4R,6R,8R)-11,11-dimethyl-5-oxa-3-thiatricyclo[6.2.1.01,6]undecan-4-yl]phenyl]-dinaphthalen-1-ylphosphane;bis(hexafluoroantimony(1-));palladium(2+).

Molecular Properties

Compound Name[2-[(1S,4R,6R,8R)-11,11-dimethyl-5-oxa-3-thiatricyclo[6.2.1.01,6]undecan-4-yl]phenyl]-dinaphthalen-1-ylphosphane;bis(hexafluoroantimony(1-));palladium(2+)
PubChem CID16688871
Molecular FormulaC37H35F12OPPdSSb2
Molecular Weight1136.64 g/mol
Exact Mass1133.91
IUPAC Name[2-[(1S,4R,6R,8R)-11,11-dimethyl-5-oxa-3-thiatricyclo[6.2.1.01,6]undecan-4-yl]phenyl]-dinaphthalen-1-ylphosphane;bis(hexafluoroantimony(1-));palladium(2+)
SMILESCC1(C)[C@@H]2CC[C@]13CS[C@H](c1ccccc1P(c1cccc4ccccc14)c1cccc4ccccc14)O[C@@H]3C2.F[Sb-](F)(F)(F)(F)F.F[Sb-](F)(F)(F)(F)F.[Pd+2]
InChIInChI=1S/C37H35OPS.12FH.Pd.2Sb/c1-36(2)27-21-22-37(36)24-40-35(38-34(37)23-27)30-17-7-8-18-33(30)39(31-19-9-13-25-11-3-5-15-28(25)31)32-20-10-14-26-12-4-6-16-29(26)32;;;;;;;;;;;;;;;/h3-20,27,34-35H,21-24H2,1-2H3;12*1H;;;/q;;;;;;;;;;;;;+2;2*+5/p-12/t27-,34-,35-,37-;;;;;;;;;;;;;;;/m1.............../s1
InChIKeyIPPBPUHHILGWIP-QSIAVZIUSA-B
XLogP12.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001136.64
LogP ≤ 512.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [2-[(1S,4R,6R,8R)-11,11-dimethyl-5-oxa-3-thiatricyclo[6.2.1.01,6]undecan-4-yl]phenyl]-dinaphthalen-1-ylphosphane;bis(hexafluoroantimony(1-));palladium(2+)?
The IUPAC name of [2-[(1S,4R,6R,8R)-11,11-dimethyl-5-oxa-3-thiatricyclo[6.2.1.01,6]undecan-4-yl]phenyl]-dinaphthalen-1-ylphosphane;bis(hexafluoroantimony(1-));palladium(2+) (CID 16688871) is [2-[(1S,4R,6R,8R)-11,11-dimethyl-5-oxa-3-thiatricyclo[6.2.1.01,6]undecan-4-yl]phenyl]-dinaphthalen-1-ylphosphane;bis(hexafluoroantimony(1-));palladium(2+).
What is the SMILES notation for [2-[(1S,4R,6R,8R)-11,11-dimethyl-5-oxa-3-thiatricyclo[6.2.1.01,6]undecan-4-yl]phenyl]-dinaphthalen-1-ylphosphane;bis(hexafluoroantimony(1-));palladium(2+)?
The canonical SMILES for [2-[(1S,4R,6R,8R)-11,11-dimethyl-5-oxa-3-thiatricyclo[6.2.1.01,6]undecan-4-yl]phenyl]-dinaphthalen-1-ylphosphane;bis(hexafluoroantimony(1-));palladium(2+) is CC1(C)[C@@H]2CC[C@]13CS[C@H](c1ccccc1P(c1cccc4ccccc14)c1cccc4ccccc14)O[C@@H]3C2.F[Sb-](F)(F)(F)(F)F.F[Sb-](F)(F)(F)(F)F.[Pd+2].
What is the InChIKey of [2-[(1S,4R,6R,8R)-11,11-dimethyl-5-oxa-3-thiatricyclo[6.2.1.01,6]undecan-4-yl]phenyl]-dinaphthalen-1-ylphosphane;bis(hexafluoroantimony(1-));palladium(2+)?
The InChIKey is IPPBPUHHILGWIP-QSIAVZIUSA-B. The full InChI is InChI=1S/C37H35OPS.12FH.Pd.2Sb/c1-36(2)27-21-22-37(36)24-40-35(38-34(37)23-27)30-17-7-8-18-33(30)39(31-19-9-13-25-11-3-5-15-28(25)31)32-20-10-14-26-12-4-6-16-29(26)32;;;;;;;;;;;;;;;/h3-20,27,34-35H,21-24H2,1-2H3;12*1H;;;/q;;;;;;;;;;;;;+2;2*+5/p-12/t27-,34-,35-,37-;;;;;;;;;;;;;;;/m1.............../s1.
What are the key properties of [2-[(1S,4R,6R,8R)-11,11-dimethyl-5-oxa-3-thiatricyclo[6.2.1.01,6]undecan-4-yl]phenyl]-dinaphthalen-1-ylphosphane;bis(hexafluoroantimony(1-));palladium(2+)?
[2-[(1S,4R,6R,8R)-11,11-dimethyl-5-oxa-3-thiatricyclo[6.2.1.01,6]undecan-4-yl]phenyl]-dinaphthalen-1-ylphosphane;bis(hexafluoroantimony(1-));palladium(2+) has a molecular weight of 1136.64 g/mol, XLogP of 12.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1S,4R,6R,8R)-11,11-dimethyl-5-oxa-3-thiatricyclo[6.2.1.01,6]undecan-4-yl]phenyl]-dinaphthalen-1-ylphosphane;bis(hexafluoroantimony(1-));palladium(2+) is sourced from PubChem (CID 16688871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).