2-diphenylphosphanyl-2-methyl-1-phenyl-N-(2,4,6-trimethylphenyl)propan-1-imine

C31H32NP — CID 6396181

IUPAC2-diphenylphosphanyl-2-methyl-1-phenyl-N-(2,4,6-trimethylphenyl)propan-1-imine
SMILESCc1cc(C)c(/N=C(/c2ccccc2)C(C)(C)P(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C31H32NP/c1-23-21-24(2)29(25(3)22-23)32-30(26-15-9-6-10-16-26)31(4,5)33(27-17-11-7-12-18-27)28-19-13-8-14-20-28/h6-22H,1-5H3/b32-30-
InChIKeyXROSKXXNKDSQKZ-GCUVURNUSA-N
MW449.58 g/mol
LogP7.64
Rot. Bonds6

About 2-diphenylphosphanyl-2-methyl-1-phenyl-N-(2,4,6-trimethylphenyl)propan-1-imine

2-diphenylphosphanyl-2-methyl-1-phenyl-N-(2,4,6-trimethylphenyl)propan-1-imine (PubChem CID 6396181) has the molecular formula C31H32NP and a molecular weight of 449.58 g/mol. Its IUPAC name is 2-diphenylphosphanyl-2-methyl-1-phenyl-N-(2,4,6-trimethylphenyl)propan-1-imine.

Molecular Properties

Compound Name2-diphenylphosphanyl-2-methyl-1-phenyl-N-(2,4,6-trimethylphenyl)propan-1-imine
PubChem CID6396181
Molecular FormulaC31H32NP
Molecular Weight449.58 g/mol
Exact Mass449.23
IUPAC Name2-diphenylphosphanyl-2-methyl-1-phenyl-N-(2,4,6-trimethylphenyl)propan-1-imine
SMILESCc1cc(C)c(/N=C(/c2ccccc2)C(C)(C)P(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C31H32NP/c1-23-21-24(2)29(25(3)22-23)32-30(26-15-9-6-10-16-26)31(4,5)33(27-17-11-7-12-18-27)28-19-13-8-14-20-28/h6-22H,1-5H3/b32-30-
InChIKeyXROSKXXNKDSQKZ-GCUVURNUSA-N
XLogP7.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.58
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-diphenylphosphanyl-2-methyl-N-(2,4,6-trimethylphenyl)propan-1-imine
CID 132595705
1,2-diphenyl-N-(2,4,6-trimethylphenyl)ethanimine
CID 58339608
1-phenyl-N-(2,4,6-trimethylphenyl)-1-[1,3,4-trimethyl-5-[C-phenyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]pyrrol-2-yl]methanimine
CID 18719151
dichloroiron;1-phenyl-1-[5-[C-phenyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]thiophen-2-yl]-N-(2,4,6-trimethylphenyl)methanimine
CID 22968219
N'-(2,6-dimethylphenyl)-3-diphenylphosphanylbenzenecarboximidamide
CID 142766272
2-methyl-1-phenyl-2-(2,4,6-trimethylphenyl)propan-1-one
CID 15629610
1-diphenylphosphanylethane-1,1-diol
CID 151023834
N-(2,4,6-trimethylphenyl)propan-2-imine
CID 129229115
dichloroiron;1-[5-[C-phenyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]thiophen-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine
CID 22968224
(NZ)-N-(2,2-dimethyl-1-phenylbut-3-enylidene)hydroxylamine
CID 124643608
dichloroiron;1-phenyl-N'-[2-phenyl-2-(2,4,6-trimethylphenyl)iminoethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diimine
CID 18718507
N-ditert-butylphosphanyl-N'-(2,6-dimethylphenyl)benzenecarboximidamide
CID 102227374

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphanyl-2-methyl-1-phenyl-N-(2,4,6-trimethylphenyl)propan-1-imine?
The IUPAC name of 2-diphenylphosphanyl-2-methyl-1-phenyl-N-(2,4,6-trimethylphenyl)propan-1-imine (CID 6396181) is 2-diphenylphosphanyl-2-methyl-1-phenyl-N-(2,4,6-trimethylphenyl)propan-1-imine.
What is the SMILES notation for 2-diphenylphosphanyl-2-methyl-1-phenyl-N-(2,4,6-trimethylphenyl)propan-1-imine?
The canonical SMILES for 2-diphenylphosphanyl-2-methyl-1-phenyl-N-(2,4,6-trimethylphenyl)propan-1-imine is Cc1cc(C)c(/N=C(/c2ccccc2)C(C)(C)P(c2ccccc2)c2ccccc2)c(C)c1.
What is the InChIKey of 2-diphenylphosphanyl-2-methyl-1-phenyl-N-(2,4,6-trimethylphenyl)propan-1-imine?
The InChIKey is XROSKXXNKDSQKZ-GCUVURNUSA-N. The full InChI is InChI=1S/C31H32NP/c1-23-21-24(2)29(25(3)22-23)32-30(26-15-9-6-10-16-26)31(4,5)33(27-17-11-7-12-18-27)28-19-13-8-14-20-28/h6-22H,1-5H3/b32-30-.
What are the key properties of 2-diphenylphosphanyl-2-methyl-1-phenyl-N-(2,4,6-trimethylphenyl)propan-1-imine?
2-diphenylphosphanyl-2-methyl-1-phenyl-N-(2,4,6-trimethylphenyl)propan-1-imine has a molecular weight of 449.58 g/mol, XLogP of 7.64, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanyl-2-methyl-1-phenyl-N-(2,4,6-trimethylphenyl)propan-1-imine is sourced from PubChem (CID 6396181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).