N-[(2S,3S)-2,3-diphenylaziridin-1-yl]-1,1-diphenylmethanimine

C27H22N2 — CID 11014227

IUPACN-[(2S,3S)-2,3-diphenylaziridin-1-yl]-1,1-diphenylmethanimine
SMILESc1ccc(C(=NN2[C@@H](c3ccccc3)[C@@H]2c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H22N2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)28-29-26(23-17-9-3-10-18-23)27(29)24-19-11-4-12-20-24/h1-20,26-27H/t26-,27-/m0/s1
InChIKeyUZSDQGLXHNCWPC-SVBPBHIXSA-N
MW374.49 g/mol
LogP6.24
Rot. Bonds5

About N-[(2S,3S)-2,3-diphenylaziridin-1-yl]-1,1-diphenylmethanimine

N-[(2S,3S)-2,3-diphenylaziridin-1-yl]-1,1-diphenylmethanimine (PubChem CID 11014227) has the molecular formula C27H22N2 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[(2S,3S)-2,3-diphenylaziridin-1-yl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[(2S,3S)-2,3-diphenylaziridin-1-yl]-1,1-diphenylmethanimine
PubChem CID11014227
Molecular FormulaC27H22N2
Molecular Weight374.49 g/mol
Exact Mass374.18
IUPAC NameN-[(2S,3S)-2,3-diphenylaziridin-1-yl]-1,1-diphenylmethanimine
SMILESc1ccc(C(=NN2[C@@H](c3ccccc3)[C@@H]2c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H22N2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)28-29-26(23-17-9-3-10-18-23)27(29)24-19-11-4-12-20-24/h1-20,26-27H/t26-,27-/m0/s1
InChIKeyUZSDQGLXHNCWPC-SVBPBHIXSA-N
XLogP6.24
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethylpyrrol-1-yl)-1,1-diphenylmethanimine
CID 134947444
N-[phenyl-(3-phenyloxiran-2-yl)methylidene]hydroxylamine
CID 154634033
(E)-N-[(4R,5S)-3-[(E)-benzylideneamino]-2-methyl-4,5-diphenylimidazolidin-1-yl]-1-phenylmethanimine
CID 92858993
[(2S,3R)-1-methyl-3-phenylaziridin-2-yl]-phenylmethanone
CID 6348954
[(2R,3R)-1-methyl-3-phenylaziridin-2-yl]-phenylmethanone
CID 6565595
[(2S,3R)-2-methyl-3-phenylaziridin-1-yl]-phenylmethanone
CID 12739484
(E)-N-[(4R,5S)-3-[(Z)-benzylideneamino]-2-methyl-4,5-diphenylimidazolidin-1-yl]-1-phenylmethanimine
CID 92529360
(NE)-N-[(2-methylphenyl)-phenylmethylidene]hydroxylamine
CID 12003652
N-[(2S,3S,5R,6R)-3,5-dimethyl-1-nitroso-2,6-diphenylpiperidin-4-ylidene]hydroxylamine
CID 92531275
(NZ)-N-[(4-methylphenyl)-phenylmethylidene]hydroxylamine
CID 6303063
3-(benzhydrylideneamino)-1,3-benzoxazol-2-one
CID 178098709
N-tert-butyl-1,1-diphenylmethan(15N)imine
CID 170780662

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2,3-diphenylaziridin-1-yl]-1,1-diphenylmethanimine?
The IUPAC name of N-[(2S,3S)-2,3-diphenylaziridin-1-yl]-1,1-diphenylmethanimine (CID 11014227) is N-[(2S,3S)-2,3-diphenylaziridin-1-yl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[(2S,3S)-2,3-diphenylaziridin-1-yl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[(2S,3S)-2,3-diphenylaziridin-1-yl]-1,1-diphenylmethanimine is c1ccc(C(=NN2[C@@H](c3ccccc3)[C@@H]2c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(2S,3S)-2,3-diphenylaziridin-1-yl]-1,1-diphenylmethanimine?
The InChIKey is UZSDQGLXHNCWPC-SVBPBHIXSA-N. The full InChI is InChI=1S/C27H22N2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)28-29-26(23-17-9-3-10-18-23)27(29)24-19-11-4-12-20-24/h1-20,26-27H/t26-,27-/m0/s1.
What are the key properties of N-[(2S,3S)-2,3-diphenylaziridin-1-yl]-1,1-diphenylmethanimine?
N-[(2S,3S)-2,3-diphenylaziridin-1-yl]-1,1-diphenylmethanimine has a molecular weight of 374.49 g/mol, XLogP of 6.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2,3-diphenylaziridin-1-yl]-1,1-diphenylmethanimine is sourced from PubChem (CID 11014227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).