diphenyl-[[(1S,2S,3R)-2,3,4-tris(diphenylphosphanylmethyl)cyclopentyl]methyl]phosphane

C57H54P4 — CID 134865357

IUPACdiphenyl-[[(1S,2S,3R)-2,3,4-tris(diphenylphosphanylmethyl)cyclopentyl]methyl]phosphane
SMILESc1ccc(P(CC2C[C@H](CP(c3ccccc3)c3ccccc3)[C@H](CP(c3ccccc3)c3ccccc3)[C@@H]2CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C57H54P4/c1-9-25-48(26-10-1)58(49-27-11-2-12-28-49)42-46-41-47(43-59(50-29-13-3-14-30-50)51-31-15-4-16-32-51)57(45-61(54-37-21-7-22-38-54)55-39-23-8-24-40-55)56(46)44-60(52-33-17-5-18-34-52)53-35-19-6-20-36-53/h1-40,46-47,56-57H,41-45H2/t46-,47?,56+,57-/m1/s1
InChIKeyHYAJCBCVJRLTRN-GPUQHDAKSA-N
MW862.96 g/mol
LogP11.39
Rot. Bonds16

About diphenyl-[[(1S,2S,3R)-2,3,4-tris(diphenylphosphanylmethyl)cyclopentyl]methyl]phosphane

diphenyl-[[(1S,2S,3R)-2,3,4-tris(diphenylphosphanylmethyl)cyclopentyl]methyl]phosphane (PubChem CID 134865357) has the molecular formula C57H54P4 and a molecular weight of 862.96 g/mol. Its IUPAC name is diphenyl-[[(1S,2S,3R)-2,3,4-tris(diphenylphosphanylmethyl)cyclopentyl]methyl]phosphane.

Molecular Properties

Compound Namediphenyl-[[(1S,2S,3R)-2,3,4-tris(diphenylphosphanylmethyl)cyclopentyl]methyl]phosphane
PubChem CID134865357
Molecular FormulaC57H54P4
Molecular Weight862.96 g/mol
Exact Mass862.32
IUPAC Namediphenyl-[[(1S,2S,3R)-2,3,4-tris(diphenylphosphanylmethyl)cyclopentyl]methyl]phosphane
SMILESc1ccc(P(CC2C[C@H](CP(c3ccccc3)c3ccccc3)[C@H](CP(c3ccccc3)c3ccccc3)[C@@H]2CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C57H54P4/c1-9-25-48(26-10-1)58(49-27-11-2-12-28-49)42-46-41-47(43-59(50-29-13-3-14-30-50)51-31-15-4-16-32-51)57(45-61(54-37-21-7-22-38-54)55-39-23-8-24-40-55)56(46)44-60(52-33-17-5-18-34-52)53-35-19-6-20-36-53/h1-40,46-47,56-57H,41-45H2/t46-,47?,56+,57-/m1/s1
InChIKeyHYAJCBCVJRLTRN-GPUQHDAKSA-N
XLogP11.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.96
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyl-[[(1S,2S,3R)-2,3,4-tris(diphenylphosphanylmethyl)cyclopentyl]methyl]phosphane?
The IUPAC name of diphenyl-[[(1S,2S,3R)-2,3,4-tris(diphenylphosphanylmethyl)cyclopentyl]methyl]phosphane (CID 134865357) is diphenyl-[[(1S,2S,3R)-2,3,4-tris(diphenylphosphanylmethyl)cyclopentyl]methyl]phosphane.
What is the SMILES notation for diphenyl-[[(1S,2S,3R)-2,3,4-tris(diphenylphosphanylmethyl)cyclopentyl]methyl]phosphane?
The canonical SMILES for diphenyl-[[(1S,2S,3R)-2,3,4-tris(diphenylphosphanylmethyl)cyclopentyl]methyl]phosphane is c1ccc(P(CC2C[C@H](CP(c3ccccc3)c3ccccc3)[C@H](CP(c3ccccc3)c3ccccc3)[C@@H]2CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of diphenyl-[[(1S,2S,3R)-2,3,4-tris(diphenylphosphanylmethyl)cyclopentyl]methyl]phosphane?
The InChIKey is HYAJCBCVJRLTRN-GPUQHDAKSA-N. The full InChI is InChI=1S/C57H54P4/c1-9-25-48(26-10-1)58(49-27-11-2-12-28-49)42-46-41-47(43-59(50-29-13-3-14-30-50)51-31-15-4-16-32-51)57(45-61(54-37-21-7-22-38-54)55-39-23-8-24-40-55)56(46)44-60(52-33-17-5-18-34-52)53-35-19-6-20-36-53/h1-40,46-47,56-57H,41-45H2/t46-,47?,56+,57-/m1/s1.
What are the key properties of diphenyl-[[(1S,2S,3R)-2,3,4-tris(diphenylphosphanylmethyl)cyclopentyl]methyl]phosphane?
diphenyl-[[(1S,2S,3R)-2,3,4-tris(diphenylphosphanylmethyl)cyclopentyl]methyl]phosphane has a molecular weight of 862.96 g/mol, XLogP of 11.39, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[[(1S,2S,3R)-2,3,4-tris(diphenylphosphanylmethyl)cyclopentyl]methyl]phosphane is sourced from PubChem (CID 134865357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).