(R)-[(2R,3S)-1-benzyl-2,3-diphenylaziridin-2-yl]-phenylmethanol

C28H25NO — CID 162413162

IUPAC(R)-[(2R,3S)-1-benzyl-2,3-diphenylaziridin-2-yl]-phenylmethanol
SMILESO[C@H](c1ccccc1)[C@@]1(c2ccccc2)[C@H](c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C28H25NO/c30-27(24-17-9-3-10-18-24)28(25-19-11-4-12-20-25)26(23-15-7-2-8-16-23)29(28)21-22-13-5-1-6-14-22/h1-20,26-27,30H,21H2/t26-,27+,28+,29?/m0/s1
InChIKeyYZVBBKFHEMAVJT-JCDLHITASA-N
MW391.51 g/mol
LogP5.87
Rot. Bonds6

About (R)-[(2R,3S)-1-benzyl-2,3-diphenylaziridin-2-yl]-phenylmethanol

(R)-[(2R,3S)-1-benzyl-2,3-diphenylaziridin-2-yl]-phenylmethanol (PubChem CID 162413162) has the molecular formula C28H25NO and a molecular weight of 391.51 g/mol. Its IUPAC name is (R)-[(2R,3S)-1-benzyl-2,3-diphenylaziridin-2-yl]-phenylmethanol.

Molecular Properties

Compound Name(R)-[(2R,3S)-1-benzyl-2,3-diphenylaziridin-2-yl]-phenylmethanol
PubChem CID162413162
Molecular FormulaC28H25NO
Molecular Weight391.51 g/mol
Exact Mass391.19
IUPAC Name(R)-[(2R,3S)-1-benzyl-2,3-diphenylaziridin-2-yl]-phenylmethanol
SMILESO[C@H](c1ccccc1)[C@@]1(c2ccccc2)[C@H](c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C28H25NO/c30-27(24-17-9-3-10-18-24)28(25-19-11-4-12-20-25)26(23-15-7-2-8-16-23)29(28)21-22-13-5-1-6-14-22/h1-20,26-27,30H,21H2/t26-,27+,28+,29?/m0/s1
InChIKeyYZVBBKFHEMAVJT-JCDLHITASA-N
XLogP5.87
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (R)-[(2R,3S)-1-benzyl-2,3-diphenylaziridin-2-yl]-phenylmethanol?
The IUPAC name of (R)-[(2R,3S)-1-benzyl-2,3-diphenylaziridin-2-yl]-phenylmethanol (CID 162413162) is (R)-[(2R,3S)-1-benzyl-2,3-diphenylaziridin-2-yl]-phenylmethanol.
What is the SMILES notation for (R)-[(2R,3S)-1-benzyl-2,3-diphenylaziridin-2-yl]-phenylmethanol?
The canonical SMILES for (R)-[(2R,3S)-1-benzyl-2,3-diphenylaziridin-2-yl]-phenylmethanol is O[C@H](c1ccccc1)[C@@]1(c2ccccc2)[C@H](c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of (R)-[(2R,3S)-1-benzyl-2,3-diphenylaziridin-2-yl]-phenylmethanol?
The InChIKey is YZVBBKFHEMAVJT-JCDLHITASA-N. The full InChI is InChI=1S/C28H25NO/c30-27(24-17-9-3-10-18-24)28(25-19-11-4-12-20-25)26(23-15-7-2-8-16-23)29(28)21-22-13-5-1-6-14-22/h1-20,26-27,30H,21H2/t26-,27+,28+,29?/m0/s1.
What are the key properties of (R)-[(2R,3S)-1-benzyl-2,3-diphenylaziridin-2-yl]-phenylmethanol?
(R)-[(2R,3S)-1-benzyl-2,3-diphenylaziridin-2-yl]-phenylmethanol has a molecular weight of 391.51 g/mol, XLogP of 5.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(2R,3S)-1-benzyl-2,3-diphenylaziridin-2-yl]-phenylmethanol is sourced from PubChem (CID 162413162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).