[(1R,2R,3R,4R)-2,3-bis(diphenylphosphanyl)-4-diphenylphosphinothioylcyclobutyl]-diphenyl-sulfanylidene-λ5-phosphane

C52H44P4S2 — CID 139155278

IUPAC[(1R,2R,3R,4R)-2,3-bis(diphenylphosphanyl)-4-diphenylphosphinothioylcyclobutyl]-diphenyl-sulfanylidene-λ5-phosphane
SMILESS=P(c1ccccc1)(c1ccccc1)[C@@H]1[C@H](P(c2ccccc2)c2ccccc2)[C@@H](P(c2ccccc2)c2ccccc2)[C@H]1P(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C52H44P4S2/c57-55(45-33-17-5-18-34-45,46-35-19-6-20-36-46)51-49(53(41-25-9-1-10-26-41)42-27-11-2-12-28-42)50(54(43-29-13-3-14-30-43)44-31-15-4-16-32-44)52(51)56(58,47-37-21-7-22-38-47)48-39-23-8-24-40-48/h1-40,49-52H/t49-,50-,51-,52-/m1/s1
InChIKeyYXEZCHYNNFETQS-MELFUQDXSA-N
MW856.95 g/mol
LogP10.00
Rot. Bonds12

About [(1R,2R,3R,4R)-2,3-bis(diphenylphosphanyl)-4-diphenylphosphinothioylcyclobutyl]-diphenyl-sulfanylidene-λ5-phosphane

[(1R,2R,3R,4R)-2,3-bis(diphenylphosphanyl)-4-diphenylphosphinothioylcyclobutyl]-diphenyl-sulfanylidene-λ5-phosphane (PubChem CID 139155278) has the molecular formula C52H44P4S2 and a molecular weight of 856.95 g/mol. Its IUPAC name is [(1R,2R,3R,4R)-2,3-bis(diphenylphosphanyl)-4-diphenylphosphinothioylcyclobutyl]-diphenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name[(1R,2R,3R,4R)-2,3-bis(diphenylphosphanyl)-4-diphenylphosphinothioylcyclobutyl]-diphenyl-sulfanylidene-λ5-phosphane
PubChem CID139155278
Molecular FormulaC52H44P4S2
Molecular Weight856.95 g/mol
Exact Mass856.18
IUPAC Name[(1R,2R,3R,4R)-2,3-bis(diphenylphosphanyl)-4-diphenylphosphinothioylcyclobutyl]-diphenyl-sulfanylidene-λ5-phosphane
SMILESS=P(c1ccccc1)(c1ccccc1)[C@@H]1[C@H](P(c2ccccc2)c2ccccc2)[C@@H](P(c2ccccc2)c2ccccc2)[C@H]1P(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C52H44P4S2/c57-55(45-33-17-5-18-34-45,46-35-19-6-20-36-46)51-49(53(41-25-9-1-10-26-41)42-27-11-2-12-28-42)50(54(43-29-13-3-14-30-43)44-31-15-4-16-32-44)52(51)56(58,47-37-21-7-22-38-47)48-39-23-8-24-40-48/h1-40,49-52H/t49-,50-,51-,52-/m1/s1
InChIKeyYXEZCHYNNFETQS-MELFUQDXSA-N
XLogP10.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.95
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

oxido-diphenyl-sulfanylidene-λ5-phosphane
CID 3382215
N-diphenylphosphanyl-N-diphenylphosphinothioylmethanamine
CID 23415829
7-bicyclo[4.1.0]heptanyl(diphenyl)phosphane
CID 13406447
bromo-diphenyl-sulfanylidene-λ5-phosphane
CID 23415811
Diphenylselenothiophosphinic acid
CID 11243432
carbazol-9-yl-diphenyl-sulfanylidene-λ5-phosphane
CID 139124774
[dimethylphosphinothioyl(diphenylphosphanyl)methyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 23414367
[(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane
CID 59800266
dimethyl-phenyl-sulfanylidene-λ5-phosphane;ethane
CID 91466135
hydroxy-diphenyl-sulfanylidene-λ5-phosphane;hydrochloride
CID 172809471
[(2R,3R)-3-diphenylphosphanyl-2-bicyclo[2.2.1]hept-1(6)-enyl]-diphenylphosphane
CID 121418974
cyclononyl(diphenyl)phosphane
CID 70908257

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R,4R)-2,3-bis(diphenylphosphanyl)-4-diphenylphosphinothioylcyclobutyl]-diphenyl-sulfanylidene-λ5-phosphane?
The IUPAC name of [(1R,2R,3R,4R)-2,3-bis(diphenylphosphanyl)-4-diphenylphosphinothioylcyclobutyl]-diphenyl-sulfanylidene-λ5-phosphane (CID 139155278) is [(1R,2R,3R,4R)-2,3-bis(diphenylphosphanyl)-4-diphenylphosphinothioylcyclobutyl]-diphenyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for [(1R,2R,3R,4R)-2,3-bis(diphenylphosphanyl)-4-diphenylphosphinothioylcyclobutyl]-diphenyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for [(1R,2R,3R,4R)-2,3-bis(diphenylphosphanyl)-4-diphenylphosphinothioylcyclobutyl]-diphenyl-sulfanylidene-λ5-phosphane is S=P(c1ccccc1)(c1ccccc1)[C@@H]1[C@H](P(c2ccccc2)c2ccccc2)[C@@H](P(c2ccccc2)c2ccccc2)[C@H]1P(=S)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R,2R,3R,4R)-2,3-bis(diphenylphosphanyl)-4-diphenylphosphinothioylcyclobutyl]-diphenyl-sulfanylidene-λ5-phosphane?
The InChIKey is YXEZCHYNNFETQS-MELFUQDXSA-N. The full InChI is InChI=1S/C52H44P4S2/c57-55(45-33-17-5-18-34-45,46-35-19-6-20-36-46)51-49(53(41-25-9-1-10-26-41)42-27-11-2-12-28-42)50(54(43-29-13-3-14-30-43)44-31-15-4-16-32-44)52(51)56(58,47-37-21-7-22-38-47)48-39-23-8-24-40-48/h1-40,49-52H/t49-,50-,51-,52-/m1/s1.
What are the key properties of [(1R,2R,3R,4R)-2,3-bis(diphenylphosphanyl)-4-diphenylphosphinothioylcyclobutyl]-diphenyl-sulfanylidene-λ5-phosphane?
[(1R,2R,3R,4R)-2,3-bis(diphenylphosphanyl)-4-diphenylphosphinothioylcyclobutyl]-diphenyl-sulfanylidene-λ5-phosphane has a molecular weight of 856.95 g/mol, XLogP of 10.00, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3R,4R)-2,3-bis(diphenylphosphanyl)-4-diphenylphosphinothioylcyclobutyl]-diphenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 139155278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).