2-[3-(2-diphenylphosphanylethylsulfanyl)propylsulfanyl]ethyl-diphenylphosphane

C31H34P2S2 — CID 6396083

IUPAC2-[3-(2-diphenylphosphanylethylsulfanyl)propylsulfanyl]ethyl-diphenylphosphane
SMILESc1ccc(P(CCSCCCSCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H34P2S2/c1-5-14-28(15-6-1)32(29-16-7-2-8-17-29)22-26-34-24-13-25-35-27-23-33(30-18-9-3-10-19-30)31-20-11-4-12-21-31/h1-12,14-21H,13,22-27H2
InChIKeyWSWJCXQFPIYXGG-UHFFFAOYSA-N
MW532.70 g/mol
LogP7.11
Rot. Bonds14

About 2-[3-(2-diphenylphosphanylethylsulfanyl)propylsulfanyl]ethyl-diphenylphosphane

2-[3-(2-diphenylphosphanylethylsulfanyl)propylsulfanyl]ethyl-diphenylphosphane (PubChem CID 6396083) has the molecular formula C31H34P2S2 and a molecular weight of 532.70 g/mol. Its IUPAC name is 2-[3-(2-diphenylphosphanylethylsulfanyl)propylsulfanyl]ethyl-diphenylphosphane.

Molecular Properties

Compound Name2-[3-(2-diphenylphosphanylethylsulfanyl)propylsulfanyl]ethyl-diphenylphosphane
PubChem CID6396083
Molecular FormulaC31H34P2S2
Molecular Weight532.70 g/mol
Exact Mass532.16
IUPAC Name2-[3-(2-diphenylphosphanylethylsulfanyl)propylsulfanyl]ethyl-diphenylphosphane
SMILESc1ccc(P(CCSCCCSCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H34P2S2/c1-5-14-28(15-6-1)32(29-16-7-2-8-17-29)22-26-34-24-13-25-35-27-23-33(30-18-9-3-10-19-30)31-20-11-4-12-21-31/h1-12,14-21H,13,22-27H2
InChIKeyWSWJCXQFPIYXGG-UHFFFAOYSA-N
XLogP7.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.70
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
bis(6-diphenylphosphanylhexyl(diphenyl)phosphane);palladium
CID 87455708
bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
CID 173374421
bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane)
CID 15017629
chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 12000429
diphenylphosphanylmethyl(diphenyl)phosphane;sulfane
CID 18991635
CID 13086823
CID 13086823
dibromocobalt;6-diphenylphosphanylhexyl(diphenyl)phosphane
CID 11377369
4-dimethylphosphanylbutyl(diphenyl)phosphane
CID 13159123
diphenyl(2-trimethylstannylethyl)phosphane
CID 13153746
bis(2-tert-butylsulfanylethyl(diphenyl)phosphane);chloroplatinum(1+);chloride
CID 53239806
bis(but-1-ene);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+)
CID 139239630

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-diphenylphosphanylethylsulfanyl)propylsulfanyl]ethyl-diphenylphosphane?
The IUPAC name of 2-[3-(2-diphenylphosphanylethylsulfanyl)propylsulfanyl]ethyl-diphenylphosphane (CID 6396083) is 2-[3-(2-diphenylphosphanylethylsulfanyl)propylsulfanyl]ethyl-diphenylphosphane.
What is the SMILES notation for 2-[3-(2-diphenylphosphanylethylsulfanyl)propylsulfanyl]ethyl-diphenylphosphane?
The canonical SMILES for 2-[3-(2-diphenylphosphanylethylsulfanyl)propylsulfanyl]ethyl-diphenylphosphane is c1ccc(P(CCSCCCSCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[3-(2-diphenylphosphanylethylsulfanyl)propylsulfanyl]ethyl-diphenylphosphane?
The InChIKey is WSWJCXQFPIYXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34P2S2/c1-5-14-28(15-6-1)32(29-16-7-2-8-17-29)22-26-34-24-13-25-35-27-23-33(30-18-9-3-10-19-30)31-20-11-4-12-21-31/h1-12,14-21H,13,22-27H2.
What are the key properties of 2-[3-(2-diphenylphosphanylethylsulfanyl)propylsulfanyl]ethyl-diphenylphosphane?
2-[3-(2-diphenylphosphanylethylsulfanyl)propylsulfanyl]ethyl-diphenylphosphane has a molecular weight of 532.70 g/mol, XLogP of 7.11, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-diphenylphosphanylethylsulfanyl)propylsulfanyl]ethyl-diphenylphosphane is sourced from PubChem (CID 6396083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).