N-(2-diphenylphosphorylphenyl)-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanimidamide

C35H41N2OP — CID 132534118

IUPACN-(2-diphenylphosphorylphenyl)-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanimidamide
SMILESCC(C)c1cccc(C(C)C)c1/N=C(/Nc1ccccc1P(=O)(c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C35H41N2OP/c1-25(2)29-21-16-22-30(26(3)4)33(29)37-34(35(5,6)7)36-31-23-14-15-24-32(31)39(38,27-17-10-8-11-18-27)28-19-12-9-13-20-28/h8-26H,1-7H3,(H,36,37)
InChIKeyRTACJJIGROGNIY-UHFFFAOYSA-N
MW536.70 g/mol
LogP8.76
Rot. Bonds7

About N-(2-diphenylphosphorylphenyl)-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanimidamide

N-(2-diphenylphosphorylphenyl)-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanimidamide (PubChem CID 132534118) has the molecular formula C35H41N2OP and a molecular weight of 536.70 g/mol. Its IUPAC name is N-(2-diphenylphosphorylphenyl)-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanimidamide.

Molecular Properties

Compound NameN-(2-diphenylphosphorylphenyl)-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanimidamide
PubChem CID132534118
Molecular FormulaC35H41N2OP
Molecular Weight536.70 g/mol
Exact Mass536.30
IUPAC NameN-(2-diphenylphosphorylphenyl)-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanimidamide
SMILESCC(C)c1cccc(C(C)C)c1/N=C(/Nc1ccccc1P(=O)(c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C35H41N2OP/c1-25(2)29-21-16-22-30(26(3)4)33(29)37-34(35(5,6)7)36-31-23-14-15-24-32(31)39(38,27-17-10-8-11-18-27)28-19-12-9-13-20-28/h8-26H,1-7H3,(H,36,37)
InChIKeyRTACJJIGROGNIY-UHFFFAOYSA-N
XLogP8.76
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.70
LogP ≤ 58.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-(2-diphenylphosphorylphenyl)acetamide
CID 71531508
1-[methyl(phenyl)phosphoryl]-2-propan-2-ylbenzene
CID 44633938
N-diphenylphosphoryl-2,6-di(propan-2-yl)aniline
CID 102170611
2-(2-diphenylphosphorylphenyl)-4,4-dimethyl-1-phenylpentane-1,3-dione
CID 162416278
bis(bis(trimethylsilyl)azanide);[C-tert-butyl-N-(2,6-dimethylphenyl)carbonimidoyl]-(2-diphenylphosphorylphenyl)azanide;neodymium(3+)
CID 139201604
N-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]benzamide
CID 136845607
N-(2-propan-2-ylphenyl)benzamide
CID 723391
N-[4-[2,6-di(propan-2-yl)phenyl]imino-3-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]pent-2-en-2-yl]-2-propan-2-ylaniline
CID 162409250
2-(2-diphenylphosphorylphenyl)-4,4-dimethyl-1-naphthalen-2-ylpentane-1,3-dione
CID 162416279
bis([2,6-di(propan-2-yl)phenyl]-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]azanide);molybdenum
CID 139115698
N-[2,6-di(propan-2-yl)phenyl]ethanimidoyl bromide
CID 132938731
3-[2,6-di(propan-2-yl)phenyl]imino-2-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1-phenylbutan-1-one
CID 139257943

Frequently Asked Questions

What is the IUPAC name of N-(2-diphenylphosphorylphenyl)-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanimidamide?
The IUPAC name of N-(2-diphenylphosphorylphenyl)-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanimidamide (CID 132534118) is N-(2-diphenylphosphorylphenyl)-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanimidamide.
What is the SMILES notation for N-(2-diphenylphosphorylphenyl)-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanimidamide?
The canonical SMILES for N-(2-diphenylphosphorylphenyl)-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanimidamide is CC(C)c1cccc(C(C)C)c1/N=C(/Nc1ccccc1P(=O)(c1ccccc1)c1ccccc1)C(C)(C)C.
What is the InChIKey of N-(2-diphenylphosphorylphenyl)-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanimidamide?
The InChIKey is RTACJJIGROGNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N2OP/c1-25(2)29-21-16-22-30(26(3)4)33(29)37-34(35(5,6)7)36-31-23-14-15-24-32(31)39(38,27-17-10-8-11-18-27)28-19-12-9-13-20-28/h8-26H,1-7H3,(H,36,37).
What are the key properties of N-(2-diphenylphosphorylphenyl)-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanimidamide?
N-(2-diphenylphosphorylphenyl)-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanimidamide has a molecular weight of 536.70 g/mol, XLogP of 8.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-diphenylphosphorylphenyl)-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanimidamide is sourced from PubChem (CID 132534118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).