(E)-1-(2-diphenylphosphanylphenyl)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]methanimine

C35H31N2P — CID 59052700

IUPAC(E)-1-(2-diphenylphosphanylphenyl)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]methanimine
SMILESC(=N/N1[C@H](c2ccccc2)CC[C@H]1c1ccccc1)\c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H31N2P/c1-5-15-28(16-6-1)33-25-26-34(29-17-7-2-8-18-29)37(33)36-27-30-19-13-14-24-35(30)38(31-20-9-3-10-21-31)32-22-11-4-12-23-32/h1-24,27,33-34H,25-26H2/b36-27+/t33-,34-/m0/s1
InChIKeyJXQLHOLMNNMITG-YUYSSCBZSA-N
MW510.62 g/mol
LogP7.36
Rot. Bonds7

About (E)-1-(2-diphenylphosphanylphenyl)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]methanimine

(E)-1-(2-diphenylphosphanylphenyl)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]methanimine (PubChem CID 59052700) has the molecular formula C35H31N2P and a molecular weight of 510.62 g/mol. Its IUPAC name is (E)-1-(2-diphenylphosphanylphenyl)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]methanimine.

Molecular Properties

Compound Name(E)-1-(2-diphenylphosphanylphenyl)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]methanimine
PubChem CID59052700
Molecular FormulaC35H31N2P
Molecular Weight510.62 g/mol
Exact Mass510.22
IUPAC Name(E)-1-(2-diphenylphosphanylphenyl)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]methanimine
SMILESC(=N/N1[C@H](c2ccccc2)CC[C@H]1c1ccccc1)\c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H31N2P/c1-5-15-28(16-6-1)33-25-26-34(29-17-7-2-8-18-29)37(33)36-27-30-19-13-14-24-35(30)38(31-20-9-3-10-21-31)32-22-11-4-12-23-32/h1-24,27,33-34H,25-26H2/b36-27+/t33-,34-/m0/s1
InChIKeyJXQLHOLMNNMITG-YUYSSCBZSA-N
XLogP7.36
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.62
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (E)-1-(2-diphenylphosphanylphenyl)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]methanimine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-diphenylphosphanylphenyl)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]methanimine?
The IUPAC name of (E)-1-(2-diphenylphosphanylphenyl)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]methanimine (CID 59052700) is (E)-1-(2-diphenylphosphanylphenyl)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]methanimine.
What is the SMILES notation for (E)-1-(2-diphenylphosphanylphenyl)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]methanimine?
The canonical SMILES for (E)-1-(2-diphenylphosphanylphenyl)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]methanimine is C(=N/N1[C@H](c2ccccc2)CC[C@H]1c1ccccc1)\c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-1-(2-diphenylphosphanylphenyl)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]methanimine?
The InChIKey is JXQLHOLMNNMITG-YUYSSCBZSA-N. The full InChI is InChI=1S/C35H31N2P/c1-5-15-28(16-6-1)33-25-26-34(29-17-7-2-8-18-29)37(33)36-27-30-19-13-14-24-35(30)38(31-20-9-3-10-21-31)32-22-11-4-12-23-32/h1-24,27,33-34H,25-26H2/b36-27+/t33-,34-/m0/s1.
What are the key properties of (E)-1-(2-diphenylphosphanylphenyl)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]methanimine?
(E)-1-(2-diphenylphosphanylphenyl)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]methanimine has a molecular weight of 510.62 g/mol, XLogP of 7.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-diphenylphosphanylphenyl)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]methanimine is sourced from PubChem (CID 59052700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).