(2R,5R)-1-[[2-[[2-[[(2R,5R)-2,5-bis(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]phenyl]diselanyl]phenyl]methyl]-2,5-bis(phenylmethoxymethyl)pyrrolidine

C54H60N2O4Se2 — CID 14979414

IUPAC(2R,5R)-1-[[2-[[2-[[(2R,5R)-2,5-bis(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]phenyl]diselanyl]phenyl]methyl]-2,5-bis(phenylmethoxymethyl)pyrrolidine
SMILESc1ccc(COC[C@H]2CC[C@H](COCc3ccccc3)N2Cc2ccccc2[Se][Se]c2ccccc2CN2[C@@H](COCc3ccccc3)CC[C@@H]2COCc2ccccc2)cc1
InChIInChI=1S/C54H60N2O4Se2/c1-5-17-43(18-6-1)35-57-39-49-29-30-50(40-58-36-44-19-7-2-8-20-44)55(49)33-47-25-13-15-27-53(47)61-62-54-28-16-14-26-48(54)34-56-51(41-59-37-45-21-9-3-10-22-45)31-32-52(56)42-60-38-46-23-11-4-12-24-46/h1-28,49-52H,29-42H2/t49-,50-,51-,52-/m1/s1
InChIKeyZUAVUOKXYXKDCG-MELFUQDXSA-N
MW959.00 g/mol
LogP8.49
Rot. Bonds23

About (2R,5R)-1-[[2-[[2-[[(2R,5R)-2,5-bis(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]phenyl]diselanyl]phenyl]methyl]-2,5-bis(phenylmethoxymethyl)pyrrolidine

(2R,5R)-1-[[2-[[2-[[(2R,5R)-2,5-bis(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]phenyl]diselanyl]phenyl]methyl]-2,5-bis(phenylmethoxymethyl)pyrrolidine (PubChem CID 14979414) has the molecular formula C54H60N2O4Se2 and a molecular weight of 959.00 g/mol. Its IUPAC name is (2R,5R)-1-[[2-[[2-[[(2R,5R)-2,5-bis(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]phenyl]diselanyl]phenyl]methyl]-2,5-bis(phenylmethoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2R,5R)-1-[[2-[[2-[[(2R,5R)-2,5-bis(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]phenyl]diselanyl]phenyl]methyl]-2,5-bis(phenylmethoxymethyl)pyrrolidine
PubChem CID14979414
Molecular FormulaC54H60N2O4Se2
Molecular Weight959.00 g/mol
Exact Mass960.29
IUPAC Name(2R,5R)-1-[[2-[[2-[[(2R,5R)-2,5-bis(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]phenyl]diselanyl]phenyl]methyl]-2,5-bis(phenylmethoxymethyl)pyrrolidine
SMILESc1ccc(COC[C@H]2CC[C@H](COCc3ccccc3)N2Cc2ccccc2[Se][Se]c2ccccc2CN2[C@@H](COCc3ccccc3)CC[C@@H]2COCc2ccccc2)cc1
InChIInChI=1S/C54H60N2O4Se2/c1-5-17-43(18-6-1)35-57-39-49-29-30-50(40-58-36-44-19-7-2-8-20-44)55(49)33-47-25-13-15-27-53(47)61-62-54-28-16-14-26-48(54)34-56-51(41-59-37-45-21-9-3-10-22-45)31-32-52(56)42-60-38-46-23-11-4-12-24-46/h1-28,49-52H,29-42H2/t49-,50-,51-,52-/m1/s1
InChIKeyZUAVUOKXYXKDCG-MELFUQDXSA-N
XLogP8.49
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500959.00
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R,5R)-1-[[2-[[2-[[(2R,5R)-2,5-bis(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]phenyl]diselanyl]phenyl]methyl]-2,5-bis(phenylmethoxymethyl)pyrrolidine with MolForge

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Related Compounds

(3S,4S)-1,1-dibenzyl-3,4-bis(phenylmethoxy)pyrrolidin-1-ium
CID 135012133
(2R,3R,4R,5R)-1-benzyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-prop-2-enylpyrrolidine
CID 11082041
(1R,2R,7S,9S)-8-[[2-[[2-[[(1R,2R,7S,9S)-4,12-diphenyl-3,5,11,13-tetraoxa-8-azatricyclo[7.4.0.02,7]tridecan-8-yl]methyl]phenyl]diselanyl]phenyl]methyl]-4,12-diphenyl-3,5,11,13-tetraoxa-8-azatricyclo[7.4.0.02,7]tridecane
CID 11815058
(2S)-2-(phenylmethoxymethyl)-1-[(2-phenylselanylphenyl)methyl]pyrrolidine
CID 15385624
(2S,3S)-1-benzyl-4-methylidene-3-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidine
CID 102339578
1,4-Dibenzyl-2,3-bis(phenylmethoxymethyl)piperazine
CID 134851748
(2R)-N,N-dibenzyl-1-trityloxybut-3-en-2-amine
CID 134952693
(3R)-1-[(1S)-1-phenylethyl]-2-[(3R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxypyrrolidin-2-yl]-3-phenylmethoxypyrrolidine
CID 135006717
(2S,3S,4S,5R)-1-benzyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-prop-2-ynylpyrrolidine
CID 135026311
(2S,3S,4S)-1-benzyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-prop-2-ynylpyrrolidine
CID 135026314
(2S,4S)-2-anthracen-9-yl-3,4-dibenzyl-1,3-oxazolidine
CID 139190461
(1S)-N,N-dibenzyl-1-[(2R,5R)-5-[(1S)-1-(dibenzylamino)-2-phenylmethoxyethyl]-1,4-dioxan-2-yl]-2-phenylmethoxyethanamine
CID 162407454

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-1-[[2-[[2-[[(2R,5R)-2,5-bis(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]phenyl]diselanyl]phenyl]methyl]-2,5-bis(phenylmethoxymethyl)pyrrolidine?
The IUPAC name of (2R,5R)-1-[[2-[[2-[[(2R,5R)-2,5-bis(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]phenyl]diselanyl]phenyl]methyl]-2,5-bis(phenylmethoxymethyl)pyrrolidine (CID 14979414) is (2R,5R)-1-[[2-[[2-[[(2R,5R)-2,5-bis(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]phenyl]diselanyl]phenyl]methyl]-2,5-bis(phenylmethoxymethyl)pyrrolidine.
What is the SMILES notation for (2R,5R)-1-[[2-[[2-[[(2R,5R)-2,5-bis(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]phenyl]diselanyl]phenyl]methyl]-2,5-bis(phenylmethoxymethyl)pyrrolidine?
The canonical SMILES for (2R,5R)-1-[[2-[[2-[[(2R,5R)-2,5-bis(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]phenyl]diselanyl]phenyl]methyl]-2,5-bis(phenylmethoxymethyl)pyrrolidine is c1ccc(COC[C@H]2CC[C@H](COCc3ccccc3)N2Cc2ccccc2[Se][Se]c2ccccc2CN2[C@@H](COCc3ccccc3)CC[C@@H]2COCc2ccccc2)cc1.
What is the InChIKey of (2R,5R)-1-[[2-[[2-[[(2R,5R)-2,5-bis(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]phenyl]diselanyl]phenyl]methyl]-2,5-bis(phenylmethoxymethyl)pyrrolidine?
The InChIKey is ZUAVUOKXYXKDCG-MELFUQDXSA-N. The full InChI is InChI=1S/C54H60N2O4Se2/c1-5-17-43(18-6-1)35-57-39-49-29-30-50(40-58-36-44-19-7-2-8-20-44)55(49)33-47-25-13-15-27-53(47)61-62-54-28-16-14-26-48(54)34-56-51(41-59-37-45-21-9-3-10-22-45)31-32-52(56)42-60-38-46-23-11-4-12-24-46/h1-28,49-52H,29-42H2/t49-,50-,51-,52-/m1/s1.
What are the key properties of (2R,5R)-1-[[2-[[2-[[(2R,5R)-2,5-bis(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]phenyl]diselanyl]phenyl]methyl]-2,5-bis(phenylmethoxymethyl)pyrrolidine?
(2R,5R)-1-[[2-[[2-[[(2R,5R)-2,5-bis(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]phenyl]diselanyl]phenyl]methyl]-2,5-bis(phenylmethoxymethyl)pyrrolidine has a molecular weight of 959.00 g/mol, XLogP of 8.49, 23 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1-[[2-[[2-[[(2R,5R)-2,5-bis(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]phenyl]diselanyl]phenyl]methyl]-2,5-bis(phenylmethoxymethyl)pyrrolidine is sourced from PubChem (CID 14979414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).