diphenyl-[(2S)-1-tritylaziridin-2-yl]methanol

C34H29NO — CID 10972689

IUPACdiphenyl-[(2S)-1-tritylaziridin-2-yl]methanol
SMILESOC(c1ccccc1)(c1ccccc1)[C@@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H29NO/c36-34(30-22-12-4-13-23-30,31-24-14-5-15-25-31)32-26-35(32)33(27-16-6-1-7-17-27,28-18-8-2-9-19-28)29-20-10-3-11-21-29/h1-25,32,36H,26H2/t32-,35?/m0/s1
InChIKeyKEYBUYUVPJKTFF-GYXLRUHFSA-N
MW467.61 g/mol
LogP6.60
Rot. Bonds7

About diphenyl-[(2S)-1-tritylaziridin-2-yl]methanol

diphenyl-[(2S)-1-tritylaziridin-2-yl]methanol (PubChem CID 10972689) has the molecular formula C34H29NO and a molecular weight of 467.61 g/mol. Its IUPAC name is diphenyl-[(2S)-1-tritylaziridin-2-yl]methanol.

Molecular Properties

Compound Namediphenyl-[(2S)-1-tritylaziridin-2-yl]methanol
PubChem CID10972689
Molecular FormulaC34H29NO
Molecular Weight467.61 g/mol
Exact Mass467.22
IUPAC Namediphenyl-[(2S)-1-tritylaziridin-2-yl]methanol
SMILESOC(c1ccccc1)(c1ccccc1)[C@@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H29NO/c36-34(30-22-12-4-13-23-30,31-24-14-5-15-25-31)32-26-35(32)33(27-16-6-1-7-17-27,28-18-8-2-9-19-28)29-20-10-3-11-21-29/h1-25,32,36H,26H2/t32-,35?/m0/s1
InChIKeyKEYBUYUVPJKTFF-GYXLRUHFSA-N
XLogP6.60
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.61
LogP ≤ 56.60
H-Bond Donors ≤ 51
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

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CID 131754
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CID 9863568
1-Benzhydryl-4-p-tolylpiperidin-4-ol
CID 9924923
4-Phenyl-1-(1-phenylethyl)piperidin-4-ol
CID 9925737
1-Benzhydryl-4-phenylpiperidin-4-ol
CID 10269001
1-Benzhydryl-4-o-tolylpiperidin-4-ol
CID 20481138
4-Phenyl-1-(1-phenylpropyl)piperidin-4-ol
CID 44426806
4-Phenyl-1-(1-phenylbutyl)piperidin-4-ol
CID 44426807
4-Phenyl-1-(1-phenylpentyl)piperidin-4-ol
CID 44426808
4-(4-Fluorophenyl)-1,3-dimethyl-2,6-diphenylpiperidin-4-ol
CID 2729786
1-Benzhydryl-4-(4-fluorophenyl)piperidin-4-ol
CID 10089987

Frequently Asked Questions

What is the IUPAC name of diphenyl-[(2S)-1-tritylaziridin-2-yl]methanol?
The IUPAC name of diphenyl-[(2S)-1-tritylaziridin-2-yl]methanol (CID 10972689) is diphenyl-[(2S)-1-tritylaziridin-2-yl]methanol.
What is the SMILES notation for diphenyl-[(2S)-1-tritylaziridin-2-yl]methanol?
The canonical SMILES for diphenyl-[(2S)-1-tritylaziridin-2-yl]methanol is OC(c1ccccc1)(c1ccccc1)[C@@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenyl-[(2S)-1-tritylaziridin-2-yl]methanol?
The InChIKey is KEYBUYUVPJKTFF-GYXLRUHFSA-N. The full InChI is InChI=1S/C34H29NO/c36-34(30-22-12-4-13-23-30,31-24-14-5-15-25-31)32-26-35(32)33(27-16-6-1-7-17-27,28-18-8-2-9-19-28)29-20-10-3-11-21-29/h1-25,32,36H,26H2/t32-,35?/m0/s1.
What are the key properties of diphenyl-[(2S)-1-tritylaziridin-2-yl]methanol?
diphenyl-[(2S)-1-tritylaziridin-2-yl]methanol has a molecular weight of 467.61 g/mol, XLogP of 6.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[(2S)-1-tritylaziridin-2-yl]methanol is sourced from PubChem (CID 10972689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).