2-[methoxy(diphenyl)methyl]-1-tritylaziridine

C35H31NO — CID 5249582

IUPAC2-[methoxy(diphenyl)methyl]-1-tritylaziridine
SMILESCOC(c1ccccc1)(c1ccccc1)C1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H31NO/c1-37-35(31-23-13-5-14-24-31,32-25-15-6-16-26-32)33-27-36(33)34(28-17-7-2-8-18-28,29-19-9-3-10-20-29)30-21-11-4-12-22-30/h2-26,33H,27H2,1H3
InChIKeyRFDCCHRXOIVYJK-UHFFFAOYSA-N
MW481.64 g/mol
LogP7.25
Rot. Bonds8

About 2-[methoxy(diphenyl)methyl]-1-tritylaziridine

2-[methoxy(diphenyl)methyl]-1-tritylaziridine (PubChem CID 5249582) has the molecular formula C35H31NO and a molecular weight of 481.64 g/mol. Its IUPAC name is 2-[methoxy(diphenyl)methyl]-1-tritylaziridine.

Molecular Properties

Compound Name2-[methoxy(diphenyl)methyl]-1-tritylaziridine
PubChem CID5249582
Molecular FormulaC35H31NO
Molecular Weight481.64 g/mol
Exact Mass481.24
IUPAC Name2-[methoxy(diphenyl)methyl]-1-tritylaziridine
SMILESCOC(c1ccccc1)(c1ccccc1)C1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H31NO/c1-37-35(31-23-13-5-14-24-31,32-25-15-6-16-26-32)33-27-36(33)34(28-17-7-2-8-18-28,29-19-9-3-10-20-29)30-21-11-4-12-22-30/h2-26,33H,27H2,1H3
InChIKeyRFDCCHRXOIVYJK-UHFFFAOYSA-N
XLogP7.25
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.64
LogP ≤ 57.25
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

2-(1-tritylaziridin-2-yl)propan-2-ol
CID 134197925
bis[4-(dimethoxymethyl)phenyl]-[(2S)-1-tritylaziridin-2-yl]methanol
CID 16754944
N-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]methanimine
CID 10661477
(2S)-2-[methoxy(diphenyl)methyl]-1-nitrosopyrrolidine
CID 10494163
1-(1-tritylaziridin-2-yl)propan-1-ol
CID 163775047
methyl (2S)-4-hydroxy-1-tritylpyrrolidine-2-carboxylate
CID 150507441
methyl 1-tritylazetidine-2-carboxylate
CID 22328406
(2S)-2-[methoxy(diphenyl)methyl]-1-propan-2-ylpyrrolidine;(2S)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine
CID 160513708
(2S)-2-[methoxy(diphenyl)methyl]-4-methylpyrrolidine
CID 134941319
(2R)-2-(phenylmethoxymethyl)-1-tritylaziridine
CID 71714058
[(3S,5S)-5-methyl-1-tritylpyrrolidin-3-yl] methanesulfonate
CID 175850042
2-[(Z)-pent-1-enyl]-1-tritylaziridine
CID 10618076

Frequently Asked Questions

What is the IUPAC name of 2-[methoxy(diphenyl)methyl]-1-tritylaziridine?
The IUPAC name of 2-[methoxy(diphenyl)methyl]-1-tritylaziridine (CID 5249582) is 2-[methoxy(diphenyl)methyl]-1-tritylaziridine.
What is the SMILES notation for 2-[methoxy(diphenyl)methyl]-1-tritylaziridine?
The canonical SMILES for 2-[methoxy(diphenyl)methyl]-1-tritylaziridine is COC(c1ccccc1)(c1ccccc1)C1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[methoxy(diphenyl)methyl]-1-tritylaziridine?
The InChIKey is RFDCCHRXOIVYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31NO/c1-37-35(31-23-13-5-14-24-31,32-25-15-6-16-26-32)33-27-36(33)34(28-17-7-2-8-18-28,29-19-9-3-10-20-29)30-21-11-4-12-22-30/h2-26,33H,27H2,1H3.
What are the key properties of 2-[methoxy(diphenyl)methyl]-1-tritylaziridine?
2-[methoxy(diphenyl)methyl]-1-tritylaziridine has a molecular weight of 481.64 g/mol, XLogP of 7.25, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy(diphenyl)methyl]-1-tritylaziridine is sourced from PubChem (CID 5249582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).