[(2S,3S)-3-methyl-1-tritylaziridin-2-yl]-diphenylmethanol

C35H31NO — CID 15312838

IUPAC[(2S,3S)-3-methyl-1-tritylaziridin-2-yl]-diphenylmethanol
SMILESC[C@H]1[C@@H](C(O)(c2ccccc2)c2ccccc2)N1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H31NO/c1-27-33(35(37,31-23-13-5-14-24-31)32-25-15-6-16-26-32)36(27)34(28-17-7-2-8-18-28,29-19-9-3-10-20-29)30-21-11-4-12-22-30/h2-27,33,37H,1H3/t27-,33-,36?/m0/s1
InChIKeyOTVDKPUPMNOGSK-HVZFRMHZSA-N
MW481.64 g/mol
LogP6.99
Rot. Bonds7

About [(2S,3S)-3-methyl-1-tritylaziridin-2-yl]-diphenylmethanol

[(2S,3S)-3-methyl-1-tritylaziridin-2-yl]-diphenylmethanol (PubChem CID 15312838) has the molecular formula C35H31NO and a molecular weight of 481.64 g/mol. Its IUPAC name is [(2S,3S)-3-methyl-1-tritylaziridin-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[(2S,3S)-3-methyl-1-tritylaziridin-2-yl]-diphenylmethanol
PubChem CID15312838
Molecular FormulaC35H31NO
Molecular Weight481.64 g/mol
Exact Mass481.24
IUPAC Name[(2S,3S)-3-methyl-1-tritylaziridin-2-yl]-diphenylmethanol
SMILESC[C@H]1[C@@H](C(O)(c2ccccc2)c2ccccc2)N1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H31NO/c1-27-33(35(37,31-23-13-5-14-24-31)32-25-15-6-16-26-32)36(27)34(28-17-7-2-8-18-28,29-19-9-3-10-20-29)30-21-11-4-12-22-30/h2-27,33,37H,1H3/t27-,33-,36?/m0/s1
InChIKeyOTVDKPUPMNOGSK-HVZFRMHZSA-N
XLogP6.99
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.64
LogP ≤ 56.99
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

1-(1-Phenylcyclohexyl)-4-phenyl-4-piperidinol
CID 131754
1-(Dio-tolylmethyl)-4-phenylpiperidin-4-ol
CID 9820782
4-Phenyl-1-(phenyl(o-tolyl)methyl)piperidin-4-ol
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 [(2S,3S)-3-methyl-1-tritylaziridin-2-yl]-diphenylmethanol?
The IUPAC name of [(2S,3S)-3-methyl-1-tritylaziridin-2-yl]-diphenylmethanol (CID 15312838) is [(2S,3S)-3-methyl-1-tritylaziridin-2-yl]-diphenylmethanol.
What is the SMILES notation for [(2S,3S)-3-methyl-1-tritylaziridin-2-yl]-diphenylmethanol?
The canonical SMILES for [(2S,3S)-3-methyl-1-tritylaziridin-2-yl]-diphenylmethanol is C[C@H]1[C@@H](C(O)(c2ccccc2)c2ccccc2)N1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S,3S)-3-methyl-1-tritylaziridin-2-yl]-diphenylmethanol?
The InChIKey is OTVDKPUPMNOGSK-HVZFRMHZSA-N. The full InChI is InChI=1S/C35H31NO/c1-27-33(35(37,31-23-13-5-14-24-31)32-25-15-6-16-26-32)36(27)34(28-17-7-2-8-18-28,29-19-9-3-10-20-29)30-21-11-4-12-22-30/h2-27,33,37H,1H3/t27-,33-,36?/m0/s1.
What are the key properties of [(2S,3S)-3-methyl-1-tritylaziridin-2-yl]-diphenylmethanol?
[(2S,3S)-3-methyl-1-tritylaziridin-2-yl]-diphenylmethanol has a molecular weight of 481.64 g/mol, XLogP of 6.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-methyl-1-tritylaziridin-2-yl]-diphenylmethanol is sourced from PubChem (CID 15312838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).