(2S)-1-[(E)-2-phenylethenyl]-2-tritylpyrrolidine

C31H29N — CID 139123608

IUPAC(2S)-1-[(E)-2-phenylethenyl]-2-tritylpyrrolidine
SMILESC(=C/N1CCC[C@H]1C(c1ccccc1)(c1ccccc1)c1ccccc1)\c1ccccc1
InChIInChI=1S/C31H29N/c1-5-14-26(15-6-1)23-25-32-24-13-22-30(32)31(27-16-7-2-8-17-27,28-18-9-3-10-19-28)29-20-11-4-12-21-29/h1-12,14-21,23,25,30H,13,22,24H2/b25-23+/t30-/m0/s1
InChIKeyXDTNJCHVNRPULS-LWPAWRQISA-N
MW415.58 g/mol
LogP7.16
Rot. Bonds6

About (2S)-1-[(E)-2-phenylethenyl]-2-tritylpyrrolidine

(2S)-1-[(E)-2-phenylethenyl]-2-tritylpyrrolidine (PubChem CID 139123608) has the molecular formula C31H29N and a molecular weight of 415.58 g/mol. Its IUPAC name is (2S)-1-[(E)-2-phenylethenyl]-2-tritylpyrrolidine.

Molecular Properties

Compound Name(2S)-1-[(E)-2-phenylethenyl]-2-tritylpyrrolidine
PubChem CID139123608
Molecular FormulaC31H29N
Molecular Weight415.58 g/mol
Exact Mass415.23
IUPAC Name(2S)-1-[(E)-2-phenylethenyl]-2-tritylpyrrolidine
SMILESC(=C/N1CCC[C@H]1C(c1ccccc1)(c1ccccc1)c1ccccc1)\c1ccccc1
InChIInChI=1S/C31H29N/c1-5-14-26(15-6-1)23-25-32-24-13-22-30(32)31(27-16-7-2-8-17-27,28-18-9-3-10-19-28)29-20-11-4-12-21-29/h1-12,14-21,23,25,30H,13,22,24H2/b25-23+/t30-/m0/s1
InChIKeyXDTNJCHVNRPULS-LWPAWRQISA-N
XLogP7.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze (2S)-1-[(E)-2-phenylethenyl]-2-tritylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z)-2-Ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine
CID 5378015
1-(Triphenylmethyl)pyrrolidine
CID 15372343
Pyrrolidine, 1,5-dimethyl-3,3-diphenyl-2-ethylidene-
CID 115159
2-Ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine
CID 5352621
(1S,5R)-8-methyl-3-(2,2,2-triphenylethyl)-8-azabicyclo[3.2.1]octane
CID 44233675
1-Methyl-cis-2,5-di(2-benzyl)-pyrrolidine
CID 44598297
1-Methyl-3,3-diphenylpyrrolidine
CID 53824422
2-Ethyl-1,5-di-methyl-3,3-diphenylpyrrolidine
CID 54277083
1-(1,3-Diphenylpropan-2-yl)pyrrolidine
CID 91032406
3-Ethyl-1,2-dimethyl-4,4-diphenylpyrrolidine
CID 154699546
(5R)-2-ethyl-1,5-dimethyl-3,3-diphenylpyrrolidine
CID 118753009
(5S)-2-ethyl-1,5-dimethyl-3,3-diphenylpyrrolidine
CID 118753199

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(E)-2-phenylethenyl]-2-tritylpyrrolidine?
The IUPAC name of (2S)-1-[(E)-2-phenylethenyl]-2-tritylpyrrolidine (CID 139123608) is (2S)-1-[(E)-2-phenylethenyl]-2-tritylpyrrolidine.
What is the SMILES notation for (2S)-1-[(E)-2-phenylethenyl]-2-tritylpyrrolidine?
The canonical SMILES for (2S)-1-[(E)-2-phenylethenyl]-2-tritylpyrrolidine is C(=C/N1CCC[C@H]1C(c1ccccc1)(c1ccccc1)c1ccccc1)\c1ccccc1.
What is the InChIKey of (2S)-1-[(E)-2-phenylethenyl]-2-tritylpyrrolidine?
The InChIKey is XDTNJCHVNRPULS-LWPAWRQISA-N. The full InChI is InChI=1S/C31H29N/c1-5-14-26(15-6-1)23-25-32-24-13-22-30(32)31(27-16-7-2-8-17-27,28-18-9-3-10-19-28)29-20-11-4-12-21-29/h1-12,14-21,23,25,30H,13,22,24H2/b25-23+/t30-/m0/s1.
What are the key properties of (2S)-1-[(E)-2-phenylethenyl]-2-tritylpyrrolidine?
(2S)-1-[(E)-2-phenylethenyl]-2-tritylpyrrolidine has a molecular weight of 415.58 g/mol, XLogP of 7.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(E)-2-phenylethenyl]-2-tritylpyrrolidine is sourced from PubChem (CID 139123608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).