triphenyl(2-triphenylphosphaniumylethyl)phosphanium diperiodate

C38H34I2O8P2 — CID 139080930

IUPACtriphenyl(2-triphenylphosphaniumylethyl)phosphanium diperiodate
SMILES[O-][I+3]([O-])([O-])[O-].[O-][I+3]([O-])([O-])[O-].c1ccc([P+](CC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H34P2.2IO4/c1-7-19-33(20-8-1)39(34-21-9-2-10-22-34,35-23-11-3-12-24-35)31-32-40(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38;2*2-1(3,4)5/h1-30H,31-32H2;;/q+2;2*-1
InChIKeyXPOHOJZDUFTOTJ-UHFFFAOYSA-N
MW934.44 g/mol
LogP-8.53
Rot. Bonds9

About triphenyl(2-triphenylphosphaniumylethyl)phosphanium diperiodate

triphenyl(2-triphenylphosphaniumylethyl)phosphanium diperiodate (PubChem CID 139080930) has the molecular formula C38H34I2O8P2 and a molecular weight of 934.44 g/mol. Its IUPAC name is triphenyl(2-triphenylphosphaniumylethyl)phosphanium diperiodate.

Molecular Properties

Compound Nametriphenyl(2-triphenylphosphaniumylethyl)phosphanium diperiodate
PubChem CID139080930
Molecular FormulaC38H34I2O8P2
Molecular Weight934.44 g/mol
Exact Mass933.98
IUPAC Nametriphenyl(2-triphenylphosphaniumylethyl)phosphanium diperiodate
SMILES[O-][I+3]([O-])([O-])[O-].[O-][I+3]([O-])([O-])[O-].c1ccc([P+](CC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H34P2.2IO4/c1-7-19-33(20-8-1)39(34-21-9-2-10-22-34,35-23-11-3-12-24-35)31-32-40(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38;2*2-1(3,4)5/h1-30H,31-32H2;;/q+2;2*-1
InChIKeyXPOHOJZDUFTOTJ-UHFFFAOYSA-N
XLogP-8.53
TPSA184.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500934.44
LogP ≤ 5-8.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triphenyl(2-triphenylphosphaniumylethyl)phosphanium diperiodate?
The IUPAC name of triphenyl(2-triphenylphosphaniumylethyl)phosphanium diperiodate (CID 139080930) is triphenyl(2-triphenylphosphaniumylethyl)phosphanium diperiodate.
What is the SMILES notation for triphenyl(2-triphenylphosphaniumylethyl)phosphanium diperiodate?
The canonical SMILES for triphenyl(2-triphenylphosphaniumylethyl)phosphanium diperiodate is [O-][I+3]([O-])([O-])[O-].[O-][I+3]([O-])([O-])[O-].c1ccc([P+](CC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl(2-triphenylphosphaniumylethyl)phosphanium diperiodate?
The InChIKey is XPOHOJZDUFTOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34P2.2IO4/c1-7-19-33(20-8-1)39(34-21-9-2-10-22-34,35-23-11-3-12-24-35)31-32-40(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38;2*2-1(3,4)5/h1-30H,31-32H2;;/q+2;2*-1.
What are the key properties of triphenyl(2-triphenylphosphaniumylethyl)phosphanium diperiodate?
triphenyl(2-triphenylphosphaniumylethyl)phosphanium diperiodate has a molecular weight of 934.44 g/mol, XLogP of -8.53, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(2-triphenylphosphaniumylethyl)phosphanium diperiodate is sourced from PubChem (CID 139080930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).