(2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,1,3-triphenylpropan-1-ol

C40H34NOP — CID 24882028

IUPAC(2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,1,3-triphenylpropan-1-ol
SMILESOC(c1ccccc1)(c1ccccc1)[C@H](Cc1ccccc1)/N=C\c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H34NOP/c42-40(34-21-8-2-9-22-34,35-23-10-3-11-24-35)39(30-32-18-6-1-7-19-32)41-31-33-20-16-17-29-38(33)43(36-25-12-4-13-26-36)37-27-14-5-15-28-37/h1-29,31,39,42H,30H2/b41-31-/t39-/m0/s1
InChIKeyJTXBJKNRYWKBDE-VTOXNATKSA-N
MW575.69 g/mol
LogP7.41
Rot. Bonds10

About (2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,1,3-triphenylpropan-1-ol

(2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,1,3-triphenylpropan-1-ol (PubChem CID 24882028) has the molecular formula C40H34NOP and a molecular weight of 575.69 g/mol. Its IUPAC name is (2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,1,3-triphenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,1,3-triphenylpropan-1-ol
PubChem CID24882028
Molecular FormulaC40H34NOP
Molecular Weight575.69 g/mol
Exact Mass575.24
IUPAC Name(2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,1,3-triphenylpropan-1-ol
SMILESOC(c1ccccc1)(c1ccccc1)[C@H](Cc1ccccc1)/N=C\c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H34NOP/c42-40(34-21-8-2-9-22-34,35-23-10-3-11-24-35)39(30-32-18-6-1-7-19-32)41-31-33-20-16-17-29-38(33)43(36-25-12-4-13-26-36)37-27-14-5-15-28-37/h1-29,31,39,42H,30H2/b41-31-/t39-/m0/s1
InChIKeyJTXBJKNRYWKBDE-VTOXNATKSA-N
XLogP7.41
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.69
LogP ≤ 57.41
H-Bond Donors ≤ 51
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

2-chloro-6-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]phenol
CID 135934907
2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]-6-methylphenol
CID 135891732
1-(2-diphenylphosphanylphenyl)-N-[(2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,2-diphenylethyl]methanimine
CID 59365608
cesium (2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-3,3-dimethylbutanoate
CID 154726111
1-(2-diphenylphosphanylphenyl)-N-[(2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]propyl]methanimine
CID 101057932
sodium (2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-3,3-dimethylbutanoate
CID 154725624
sodium 2-[(2-diphenylphosphanylphenyl)methylideneamino]-3,3-dimethylbutanoate
CID 75295063
(2S)-4-methyl-2-(naphthalen-1-ylmethylideneamino)-1,1-diphenylpentan-1-ol
CID 101464213
2,4-ditert-butyl-6-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]phenol;dichlorotitanium;oxolane
CID 135455011
(2S)-N-[(2S)-1-(tert-butylamino)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]-2-[(2-diphenylphosphanylphenyl)methylideneamino]-3,3-dimethylbutanamide
CID 134991559
[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]azanium
CID 7023047
(2S)-2-[(2-hydroxyphenyl)methylideneamino]-N-[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]-3-methylbutanamide
CID 136729180

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,1,3-triphenylpropan-1-ol?
The IUPAC name of (2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,1,3-triphenylpropan-1-ol (CID 24882028) is (2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,1,3-triphenylpropan-1-ol.
What is the SMILES notation for (2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,1,3-triphenylpropan-1-ol?
The canonical SMILES for (2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,1,3-triphenylpropan-1-ol is OC(c1ccccc1)(c1ccccc1)[C@H](Cc1ccccc1)/N=C\c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,1,3-triphenylpropan-1-ol?
The InChIKey is JTXBJKNRYWKBDE-VTOXNATKSA-N. The full InChI is InChI=1S/C40H34NOP/c42-40(34-21-8-2-9-22-34,35-23-10-3-11-24-35)39(30-32-18-6-1-7-19-32)41-31-33-20-16-17-29-38(33)43(36-25-12-4-13-26-36)37-27-14-5-15-28-37/h1-29,31,39,42H,30H2/b41-31-/t39-/m0/s1.
What are the key properties of (2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,1,3-triphenylpropan-1-ol?
(2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,1,3-triphenylpropan-1-ol has a molecular weight of 575.69 g/mol, XLogP of 7.41, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,1,3-triphenylpropan-1-ol is sourced from PubChem (CID 24882028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).