[(2R,3S,4S,5R)-4-diphenylphosphanyloxy-1,6-diphenyl-2,5-di(piperidin-1-yl)hexan-3-yl]oxy-diphenylphosphane

C52H58N2O2P2 — CID 101080221

IUPAC[(2R,3S,4S,5R)-4-diphenylphosphanyloxy-1,6-diphenyl-2,5-di(piperidin-1-yl)hexan-3-yl]oxy-diphenylphosphane
SMILESc1ccc(C[C@H]([C@H](OP(c2ccccc2)c2ccccc2)[C@@H](OP(c2ccccc2)c2ccccc2)[C@@H](Cc2ccccc2)N2CCCCC2)N2CCCCC2)cc1
InChIInChI=1S/C52H58N2O2P2/c1-9-25-43(26-10-1)41-49(53-37-21-7-22-38-53)51(55-57(45-29-13-3-14-30-45)46-31-15-4-16-32-46)52(50(54-39-23-8-24-40-54)42-44-27-11-2-12-28-44)56-58(47-33-17-5-18-34-47)48-35-19-6-20-36-48/h1-6,9-20,25-36,49-52H,7-8,21-24,37-42H2/t49-,50-,51+,52+/m1/s1
InChIKeyLZAZXKPBILCCHL-DSIMHHNMSA-N
MW805.00 g/mol
LogP10.05
Rot. Bonds17

About [(2R,3S,4S,5R)-4-diphenylphosphanyloxy-1,6-diphenyl-2,5-di(piperidin-1-yl)hexan-3-yl]oxy-diphenylphosphane

[(2R,3S,4S,5R)-4-diphenylphosphanyloxy-1,6-diphenyl-2,5-di(piperidin-1-yl)hexan-3-yl]oxy-diphenylphosphane (PubChem CID 101080221) has the molecular formula C52H58N2O2P2 and a molecular weight of 805.00 g/mol. Its IUPAC name is [(2R,3S,4S,5R)-4-diphenylphosphanyloxy-1,6-diphenyl-2,5-di(piperidin-1-yl)hexan-3-yl]oxy-diphenylphosphane.

Molecular Properties

Compound Name[(2R,3S,4S,5R)-4-diphenylphosphanyloxy-1,6-diphenyl-2,5-di(piperidin-1-yl)hexan-3-yl]oxy-diphenylphosphane
PubChem CID101080221
Molecular FormulaC52H58N2O2P2
Molecular Weight805.00 g/mol
Exact Mass804.40
IUPAC Name[(2R,3S,4S,5R)-4-diphenylphosphanyloxy-1,6-diphenyl-2,5-di(piperidin-1-yl)hexan-3-yl]oxy-diphenylphosphane
SMILESc1ccc(C[C@H]([C@H](OP(c2ccccc2)c2ccccc2)[C@@H](OP(c2ccccc2)c2ccccc2)[C@@H](Cc2ccccc2)N2CCCCC2)N2CCCCC2)cc1
InChIInChI=1S/C52H58N2O2P2/c1-9-25-43(26-10-1)41-49(53-37-21-7-22-38-53)51(55-57(45-29-13-3-14-30-45)46-31-15-4-16-32-46)52(50(54-39-23-8-24-40-54)42-44-27-11-2-12-28-44)56-58(47-33-17-5-18-34-47)48-35-19-6-20-36-48/h1-6,9-20,25-36,49-52H,7-8,21-24,37-42H2/t49-,50-,51+,52+/m1/s1
InChIKeyLZAZXKPBILCCHL-DSIMHHNMSA-N
XLogP10.05
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.00
LogP ≤ 510.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-1,6-diphenyl-2,5-dipyrrolidin-1-ylhexane-3,4-diol
CID 142207135
diphenyl(1-phenylpropan-2-yloxy)phosphane
CID 86075511
1-(1-phenylpropan-2-yl)piperidine
CID 11321650
(1R,2S)-1,3-diphenyl-2-piperidin-1-ylpropane-1-thiol;(1R,2S)-1,2-diphenyl-2-pyrrolidin-1-ylethanethiol;methane
CID 161192461
2-phenyl-1-pyrrolidin-1-ylethanol;hydrochloride
CID 70255948
1-[phenylmethoxy(piperidin-1-yl)methyl]piperidine
CID 3477128
1,1,3-triphenyl-2-piperidin-1-ylpropan-1-ol
CID 23250666
methyl 3-phenyl-2-pyrrolidin-1-ylpropanoate
CID 20833938
methyl N-(3-phenyl-2-piperidin-1-ylpropyl)carbamate
CID 110403986
1-[1-(4-methoxyphenyl)-2-phenylethyl]pyrrolidine
CID 101409454
(2R)-N-methyl-1-phenyl-3-piperidin-1-ylpropan-2-amine
CID 101204001
1-(1,4-diphenylbut-3-yn-2-yl)pyrrolidine
CID 100954727

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5R)-4-diphenylphosphanyloxy-1,6-diphenyl-2,5-di(piperidin-1-yl)hexan-3-yl]oxy-diphenylphosphane?
The IUPAC name of [(2R,3S,4S,5R)-4-diphenylphosphanyloxy-1,6-diphenyl-2,5-di(piperidin-1-yl)hexan-3-yl]oxy-diphenylphosphane (CID 101080221) is [(2R,3S,4S,5R)-4-diphenylphosphanyloxy-1,6-diphenyl-2,5-di(piperidin-1-yl)hexan-3-yl]oxy-diphenylphosphane.
What is the SMILES notation for [(2R,3S,4S,5R)-4-diphenylphosphanyloxy-1,6-diphenyl-2,5-di(piperidin-1-yl)hexan-3-yl]oxy-diphenylphosphane?
The canonical SMILES for [(2R,3S,4S,5R)-4-diphenylphosphanyloxy-1,6-diphenyl-2,5-di(piperidin-1-yl)hexan-3-yl]oxy-diphenylphosphane is c1ccc(C[C@H]([C@H](OP(c2ccccc2)c2ccccc2)[C@@H](OP(c2ccccc2)c2ccccc2)[C@@H](Cc2ccccc2)N2CCCCC2)N2CCCCC2)cc1.
What is the InChIKey of [(2R,3S,4S,5R)-4-diphenylphosphanyloxy-1,6-diphenyl-2,5-di(piperidin-1-yl)hexan-3-yl]oxy-diphenylphosphane?
The InChIKey is LZAZXKPBILCCHL-DSIMHHNMSA-N. The full InChI is InChI=1S/C52H58N2O2P2/c1-9-25-43(26-10-1)41-49(53-37-21-7-22-38-53)51(55-57(45-29-13-3-14-30-45)46-31-15-4-16-32-46)52(50(54-39-23-8-24-40-54)42-44-27-11-2-12-28-44)56-58(47-33-17-5-18-34-47)48-35-19-6-20-36-48/h1-6,9-20,25-36,49-52H,7-8,21-24,37-42H2/t49-,50-,51+,52+/m1/s1.
What are the key properties of [(2R,3S,4S,5R)-4-diphenylphosphanyloxy-1,6-diphenyl-2,5-di(piperidin-1-yl)hexan-3-yl]oxy-diphenylphosphane?
[(2R,3S,4S,5R)-4-diphenylphosphanyloxy-1,6-diphenyl-2,5-di(piperidin-1-yl)hexan-3-yl]oxy-diphenylphosphane has a molecular weight of 805.00 g/mol, XLogP of 10.05, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5R)-4-diphenylphosphanyloxy-1,6-diphenyl-2,5-di(piperidin-1-yl)hexan-3-yl]oxy-diphenylphosphane is sourced from PubChem (CID 101080221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).