methyl 4-[2-[(4-methoxycarbonylphenyl)-(4-methylphenyl)sulfonyloxy-diphenyl-λ5-phosphanyl]ethyl-(4-methylphenyl)sulfonyloxy-diphenyl-λ5-phosphanyl]benzoate

C56H52O10P2S2 — CID 88626451

IUPACmethyl 4-[2-[(4-methoxycarbonylphenyl)-(4-methylphenyl)sulfonyloxy-diphenyl-λ5-phosphanyl]ethyl-(4-methylphenyl)sulfonyloxy-diphenyl-λ5-phosphanyl]benzoate
SMILESCOC(=O)c1ccc(P(CCP(OS(=O)(=O)c2ccc(C)cc2)(c2ccccc2)(c2ccccc2)c2ccc(C(=O)OC)cc2)(OS(=O)(=O)c2ccc(C)cc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C56H52O10P2S2/c1-43-25-37-53(38-26-43)69(59,60)65-67(47-17-9-5-10-18-47,48-19-11-6-12-20-48,51-33-29-45(30-34-51)55(57)63-3)41-42-68(49-21-13-7-14-22-49,50-23-15-8-16-24-50,52-35-31-46(32-36-52)56(58)64-4)66-70(61,62)54-39-27-44(2)28-40-54/h5-40H,41-42H2,1-4H3
InChIKeySERBWKRJLCXNRB-UHFFFAOYSA-N
MW1011.10 g/mol
LogP8.88
Rot. Bonds17

About methyl 4-[2-[(4-methoxycarbonylphenyl)-(4-methylphenyl)sulfonyloxy-diphenyl-λ5-phosphanyl]ethyl-(4-methylphenyl)sulfonyloxy-diphenyl-λ5-phosphanyl]benzoate

methyl 4-[2-[(4-methoxycarbonylphenyl)-(4-methylphenyl)sulfonyloxy-diphenyl-λ5-phosphanyl]ethyl-(4-methylphenyl)sulfonyloxy-diphenyl-λ5-phosphanyl]benzoate (PubChem CID 88626451) has the molecular formula C56H52O10P2S2 and a molecular weight of 1011.10 g/mol. Its IUPAC name is methyl 4-[2-[(4-methoxycarbonylphenyl)-(4-methylphenyl)sulfonyloxy-diphenyl-λ5-phosphanyl]ethyl-(4-methylphenyl)sulfonyloxy-diphenyl-λ5-phosphanyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[(4-methoxycarbonylphenyl)-(4-methylphenyl)sulfonyloxy-diphenyl-λ5-phosphanyl]ethyl-(4-methylphenyl)sulfonyloxy-diphenyl-λ5-phosphanyl]benzoate
PubChem CID88626451
Molecular FormulaC56H52O10P2S2
Molecular Weight1011.10 g/mol
Exact Mass1010.25
IUPAC Namemethyl 4-[2-[(4-methoxycarbonylphenyl)-(4-methylphenyl)sulfonyloxy-diphenyl-λ5-phosphanyl]ethyl-(4-methylphenyl)sulfonyloxy-diphenyl-λ5-phosphanyl]benzoate
SMILESCOC(=O)c1ccc(P(CCP(OS(=O)(=O)c2ccc(C)cc2)(c2ccccc2)(c2ccccc2)c2ccc(C(=O)OC)cc2)(OS(=O)(=O)c2ccc(C)cc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C56H52O10P2S2/c1-43-25-37-53(38-26-43)69(59,60)65-67(47-17-9-5-10-18-47,48-19-11-6-12-20-48,51-33-29-45(30-34-51)55(57)63-3)41-42-68(49-21-13-7-14-22-49,50-23-15-8-16-24-50,52-35-31-46(32-36-52)56(58)64-4)66-70(61,62)54-39-27-44(2)28-40-54/h5-40H,41-42H2,1-4H3
InChIKeySERBWKRJLCXNRB-UHFFFAOYSA-N
XLogP8.88
TPSA139.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001011.10
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze methyl 4-[2-[(4-methoxycarbonylphenyl)-(4-methylphenyl)sulfonyloxy-diphenyl-λ5-phosphanyl]ethyl-(4-methylphenyl)sulfonyloxy-diphenyl-λ5-phosphanyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(4-methylphenyl)sulfonyloxy-triphenyl-λ5-phosphanyl]acetate
CID 12066018
dimethyl 5-[methyl-(4-methylphenyl)sulfonyloxy-diphenyl-lambda5-phosphanyl]benzene-1,3-dicarboxylate
CID 14548452
methanol;methyl 4-methylbenzoate;toluene
CID 142226695
(4-methoxycarbonylphenyl)methyl-(4-methylphenyl)sulfonyloxy-diphenylphosphanium
CID 88618237
dimethyl 2-[butyl(triphenyl)-λ5-phosphanyl]oxysulfonylbenzene-1,4-dicarboxylate
CID 139649733
methyl 4-methylbenzoate
CID 91113291
methyl 4-methylbenzoate
CID 7455
[dimethyl(diphenyl)-λ5-phosphanyl] 4-methylbenzenesulfonate
CID 71368115
methyl benzoate;sulfuryl dichloride;toluene
CID 162034075
methyl 4-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethylamino]benzoate
CID 126511568
N-ethylethanamine;methyl 4-methylbenzoate
CID 18508179
(4-methoxycarbonylphenyl)-(4-methylphenyl)-phenylsulfanium
CID 164747030

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[(4-methoxycarbonylphenyl)-(4-methylphenyl)sulfonyloxy-diphenyl-λ5-phosphanyl]ethyl-(4-methylphenyl)sulfonyloxy-diphenyl-λ5-phosphanyl]benzoate?
The IUPAC name of methyl 4-[2-[(4-methoxycarbonylphenyl)-(4-methylphenyl)sulfonyloxy-diphenyl-λ5-phosphanyl]ethyl-(4-methylphenyl)sulfonyloxy-diphenyl-λ5-phosphanyl]benzoate (CID 88626451) is methyl 4-[2-[(4-methoxycarbonylphenyl)-(4-methylphenyl)sulfonyloxy-diphenyl-λ5-phosphanyl]ethyl-(4-methylphenyl)sulfonyloxy-diphenyl-λ5-phosphanyl]benzoate.
What is the SMILES notation for methyl 4-[2-[(4-methoxycarbonylphenyl)-(4-methylphenyl)sulfonyloxy-diphenyl-λ5-phosphanyl]ethyl-(4-methylphenyl)sulfonyloxy-diphenyl-λ5-phosphanyl]benzoate?
The canonical SMILES for methyl 4-[2-[(4-methoxycarbonylphenyl)-(4-methylphenyl)sulfonyloxy-diphenyl-λ5-phosphanyl]ethyl-(4-methylphenyl)sulfonyloxy-diphenyl-λ5-phosphanyl]benzoate is COC(=O)c1ccc(P(CCP(OS(=O)(=O)c2ccc(C)cc2)(c2ccccc2)(c2ccccc2)c2ccc(C(=O)OC)cc2)(OS(=O)(=O)c2ccc(C)cc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of methyl 4-[2-[(4-methoxycarbonylphenyl)-(4-methylphenyl)sulfonyloxy-diphenyl-λ5-phosphanyl]ethyl-(4-methylphenyl)sulfonyloxy-diphenyl-λ5-phosphanyl]benzoate?
The InChIKey is SERBWKRJLCXNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H52O10P2S2/c1-43-25-37-53(38-26-43)69(59,60)65-67(47-17-9-5-10-18-47,48-19-11-6-12-20-48,51-33-29-45(30-34-51)55(57)63-3)41-42-68(49-21-13-7-14-22-49,50-23-15-8-16-24-50,52-35-31-46(32-36-52)56(58)64-4)66-70(61,62)54-39-27-44(2)28-40-54/h5-40H,41-42H2,1-4H3.
What are the key properties of methyl 4-[2-[(4-methoxycarbonylphenyl)-(4-methylphenyl)sulfonyloxy-diphenyl-λ5-phosphanyl]ethyl-(4-methylphenyl)sulfonyloxy-diphenyl-λ5-phosphanyl]benzoate?
methyl 4-[2-[(4-methoxycarbonylphenyl)-(4-methylphenyl)sulfonyloxy-diphenyl-λ5-phosphanyl]ethyl-(4-methylphenyl)sulfonyloxy-diphenyl-λ5-phosphanyl]benzoate has a molecular weight of 1011.10 g/mol, XLogP of 8.88, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[(4-methoxycarbonylphenyl)-(4-methylphenyl)sulfonyloxy-diphenyl-λ5-phosphanyl]ethyl-(4-methylphenyl)sulfonyloxy-diphenyl-λ5-phosphanyl]benzoate is sourced from PubChem (CID 88626451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).