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

C35H43N2P — CID 59052977

IUPAC(E)-1-(2-dicyclohexylphosphanylphenyl)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]methanimine
SMILESC(=N/N1[C@H](c2ccccc2)CC[C@H]1c1ccccc1)\c1ccccc1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C35H43N2P/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/h1-2,5-8,13-19,24,27,31-34H,3-4,9-12,20-23,25-26H2/b36-27+/t33-,34-/m0/s1
InChIKeyDTUKKUKJWJIBPF-YUYSSCBZSA-N
MW522.72 g/mol
LogP9.37
Rot. Bonds7

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

(E)-1-(2-dicyclohexylphosphanylphenyl)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]methanimine (PubChem CID 59052977) has the molecular formula C35H43N2P and a molecular weight of 522.72 g/mol. Its IUPAC name is (E)-1-(2-dicyclohexylphosphanylphenyl)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]methanimine.

Molecular Properties

Compound Name(E)-1-(2-dicyclohexylphosphanylphenyl)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]methanimine
PubChem CID59052977
Molecular FormulaC35H43N2P
Molecular Weight522.72 g/mol
Exact Mass522.32
IUPAC Name(E)-1-(2-dicyclohexylphosphanylphenyl)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]methanimine
SMILESC(=N/N1[C@H](c2ccccc2)CC[C@H]1c1ccccc1)\c1ccccc1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C35H43N2P/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/h1-2,5-8,13-19,24,27,31-34H,3-4,9-12,20-23,25-26H2/b36-27+/t33-,34-/m0/s1
InChIKeyDTUKKUKJWJIBPF-YUYSSCBZSA-N
XLogP9.37
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.72
LogP ≤ 59.37
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'}

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Related Compounds

(E)-1-(2-diphenylphosphanylphenyl)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]methanimine
CID 59052700
di(cyclobutyl)-[2-di(cyclobutyl)phosphanylphenyl]phosphane
CID 90110127
N-cyclohexyl-1-(2-diphenylphosphanylphenyl)methanimine
CID 11280187
(E)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]hexan-1-imine
CID 135077796
azane;dicyclohexyl-(2-phenylphenyl)phosphane
CID 86613582
(2-dicyclohexylphosphanylphenyl)-phenylmethanone
CID 53411822
dicyclohexyl-[2-[(2-dicyclohexylphosphanylphenyl)-phenylboranyl]phenyl]phosphane
CID 139094751
bis(dicyclohexyl(phenyl)phosphane);dihydrobromide
CID 173326608
2-(2-dicyclohexylphosphanylphenyl)phenol
CID 7015412
1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine
CID 11332064
cyclononyl(diphenyl)phosphane
CID 70908257
dicyclohexyl-[1-(2-dicyclohexylphosphanylphenyl)pyrrol-2-yl]phosphane
CID 12070552

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-dicyclohexylphosphanylphenyl)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]methanimine?
The IUPAC name of (E)-1-(2-dicyclohexylphosphanylphenyl)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]methanimine (CID 59052977) is (E)-1-(2-dicyclohexylphosphanylphenyl)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]methanimine.
What is the SMILES notation for (E)-1-(2-dicyclohexylphosphanylphenyl)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]methanimine?
The canonical SMILES for (E)-1-(2-dicyclohexylphosphanylphenyl)-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-dicyclohexylphosphanylphenyl)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]methanimine?
The InChIKey is DTUKKUKJWJIBPF-YUYSSCBZSA-N. The full InChI is InChI=1S/C35H43N2P/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/h1-2,5-8,13-19,24,27,31-34H,3-4,9-12,20-23,25-26H2/b36-27+/t33-,34-/m0/s1.
What are the key properties of (E)-1-(2-dicyclohexylphosphanylphenyl)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]methanimine?
(E)-1-(2-dicyclohexylphosphanylphenyl)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]methanimine has a molecular weight of 522.72 g/mol, XLogP of 9.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-dicyclohexylphosphanylphenyl)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]methanimine is sourced from PubChem (CID 59052977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).