(2R,3R)-2-phenyl-3-(phenylmethoxymethyl)-1-tritylaziridine

C35H31NO — CID 102054848

IUPAC(2R,3R)-2-phenyl-3-(phenylmethoxymethyl)-1-tritylaziridine
SMILESc1ccc(COC[C@H]2[C@@H](c3ccccc3)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C35H31NO/c1-6-16-28(17-7-1)26-37-27-33-34(29-18-8-2-9-19-29)36(33)35(30-20-10-3-11-21-30,31-22-12-4-13-23-31)32-24-14-5-15-25-32/h1-25,33-34H,26-27H2/t33-,34+,36?/m0/s1
InChIKeyNUFUDGWMKZMTBY-WLRRAVMWSA-N
MW481.64 g/mol
LogP7.62
Rot. Bonds9

About (2R,3R)-2-phenyl-3-(phenylmethoxymethyl)-1-tritylaziridine

(2R,3R)-2-phenyl-3-(phenylmethoxymethyl)-1-tritylaziridine (PubChem CID 102054848) has the molecular formula C35H31NO and a molecular weight of 481.64 g/mol. Its IUPAC name is (2R,3R)-2-phenyl-3-(phenylmethoxymethyl)-1-tritylaziridine.

Molecular Properties

Compound Name(2R,3R)-2-phenyl-3-(phenylmethoxymethyl)-1-tritylaziridine
PubChem CID102054848
Molecular FormulaC35H31NO
Molecular Weight481.64 g/mol
Exact Mass481.24
IUPAC Name(2R,3R)-2-phenyl-3-(phenylmethoxymethyl)-1-tritylaziridine
SMILESc1ccc(COC[C@H]2[C@@H](c3ccccc3)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C35H31NO/c1-6-16-28(17-7-1)26-37-27-33-34(29-18-8-2-9-19-29)36(33)35(30-20-10-3-11-21-30,31-22-12-4-13-23-31)32-24-14-5-15-25-32/h1-25,33-34H,26-27H2/t33-,34+,36?/m0/s1
InChIKeyNUFUDGWMKZMTBY-WLRRAVMWSA-N
XLogP7.62
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.64
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(2R,3R)-3-(phenylmethoxymethyl)-1-tritylaziridin-2-yl]benzoate
CID 102054850
(2R)-2-(phenylmethoxymethyl)-1-tritylaziridine
CID 71714058
(3S,4R)-3-acetyl-4-(phenylmethoxymethyl)-1-tritylazetidin-2-one
CID 46931375
(2S,3S,4S,5R)-2,5-diphenyl-3,4-bis(phenylmethoxymethyl)oxolane
CID 10994244
(3R,4R)-3-(3-bromobut-3-enoyl)-4-(phenylmethoxymethyl)-1-tritylazetidin-2-one
CID 46931265
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
(2R,5R)-1-benzyl-2,5-bis(phenylmethoxymethyl)pyrrolidine
CID 10501247
benzyl (2R,3R,4S,5S)-4-amino-2-methyl-5-phenyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 70302435
CID 66734377
CID 66734377
2,2-dimethyl-1-[(2R,3R)-3-phenyl-2-(phenylmethoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 102192647
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(1S,2S,3S,5S,8S)-5-methyl-1,2-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 46188980

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-phenyl-3-(phenylmethoxymethyl)-1-tritylaziridine?
The IUPAC name of (2R,3R)-2-phenyl-3-(phenylmethoxymethyl)-1-tritylaziridine (CID 102054848) is (2R,3R)-2-phenyl-3-(phenylmethoxymethyl)-1-tritylaziridine.
What is the SMILES notation for (2R,3R)-2-phenyl-3-(phenylmethoxymethyl)-1-tritylaziridine?
The canonical SMILES for (2R,3R)-2-phenyl-3-(phenylmethoxymethyl)-1-tritylaziridine is c1ccc(COC[C@H]2[C@@H](c3ccccc3)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2R,3R)-2-phenyl-3-(phenylmethoxymethyl)-1-tritylaziridine?
The InChIKey is NUFUDGWMKZMTBY-WLRRAVMWSA-N. The full InChI is InChI=1S/C35H31NO/c1-6-16-28(17-7-1)26-37-27-33-34(29-18-8-2-9-19-29)36(33)35(30-20-10-3-11-21-30,31-22-12-4-13-23-31)32-24-14-5-15-25-32/h1-25,33-34H,26-27H2/t33-,34+,36?/m0/s1.
What are the key properties of (2R,3R)-2-phenyl-3-(phenylmethoxymethyl)-1-tritylaziridine?
(2R,3R)-2-phenyl-3-(phenylmethoxymethyl)-1-tritylaziridine has a molecular weight of 481.64 g/mol, XLogP of 7.62, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-phenyl-3-(phenylmethoxymethyl)-1-tritylaziridine is sourced from PubChem (CID 102054848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).