diphenylphosphanylsulfanyl(diphenyl)phosphane

C24H20P2S — CID 12847137

IUPACdiphenylphosphanylsulfanyl(diphenyl)phosphane
SMILESc1ccc(P(SP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20P2S/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyDXZBASWTDAVCJJ-UHFFFAOYSA-N
MW402.44 g/mol
LogP5.82
Rot. Bonds6

About diphenylphosphanylsulfanyl(diphenyl)phosphane

diphenylphosphanylsulfanyl(diphenyl)phosphane (PubChem CID 12847137) has the molecular formula C24H20P2S and a molecular weight of 402.44 g/mol. Its IUPAC name is diphenylphosphanylsulfanyl(diphenyl)phosphane.

Molecular Properties

Compound Namediphenylphosphanylsulfanyl(diphenyl)phosphane
PubChem CID12847137
Molecular FormulaC24H20P2S
Molecular Weight402.44 g/mol
Exact Mass402.08
IUPAC Namediphenylphosphanylsulfanyl(diphenyl)phosphane
SMILESc1ccc(P(SP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20P2S/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyDXZBASWTDAVCJJ-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.44
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 25068071
CID 25068071
triphenylphosphane
CID 139056248
sulfur dioxide;triphenylphosphane
CID 160748722
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
palladium;bis(triphenylphosphane)
CID 10122028
tris(triphenylphosphane);hydrobromide
CID 172722268
tris(triphenylphosphane);trihydrochloride
CID 173282987
triphenylphosphane;yttrium
CID 139917776
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
silane;triphenylphosphane
CID 161037280
plutonium;triphenylphosphane
CID 161300359

Frequently Asked Questions

What is the IUPAC name of diphenylphosphanylsulfanyl(diphenyl)phosphane?
The IUPAC name of diphenylphosphanylsulfanyl(diphenyl)phosphane (CID 12847137) is diphenylphosphanylsulfanyl(diphenyl)phosphane.
What is the SMILES notation for diphenylphosphanylsulfanyl(diphenyl)phosphane?
The canonical SMILES for diphenylphosphanylsulfanyl(diphenyl)phosphane is c1ccc(P(SP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of diphenylphosphanylsulfanyl(diphenyl)phosphane?
The InChIKey is DXZBASWTDAVCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20P2S/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H.
What are the key properties of diphenylphosphanylsulfanyl(diphenyl)phosphane?
diphenylphosphanylsulfanyl(diphenyl)phosphane has a molecular weight of 402.44 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphanylsulfanyl(diphenyl)phosphane is sourced from PubChem (CID 12847137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).