N-(2-diphenylphosphanylphenyl)-N'-[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide

C37H37N2P — CID 132582428

IUPACN-(2-diphenylphosphanylphenyl)-N'-[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide
SMILESCC(C)c1cccc(C(C)C)c1/N=C(/Nc1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C37H37N2P/c1-27(2)32-23-16-24-33(28(3)4)36(32)39-37(29-17-8-5-9-18-29)38-34-25-14-15-26-35(34)40(30-19-10-6-11-20-30)31-21-12-7-13-22-31/h5-28H,1-4H3,(H,38,39)
InChIKeyUJTYXBVVVKSWOP-UHFFFAOYSA-N
MW540.69 g/mol
LogP8.88
Rot. Bonds8

About N-(2-diphenylphosphanylphenyl)-N'-[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide

N-(2-diphenylphosphanylphenyl)-N'-[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide (PubChem CID 132582428) has the molecular formula C37H37N2P and a molecular weight of 540.69 g/mol. Its IUPAC name is N-(2-diphenylphosphanylphenyl)-N'-[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide.

Molecular Properties

Compound NameN-(2-diphenylphosphanylphenyl)-N'-[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide
PubChem CID132582428
Molecular FormulaC37H37N2P
Molecular Weight540.69 g/mol
Exact Mass540.27
IUPAC NameN-(2-diphenylphosphanylphenyl)-N'-[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide
SMILESCC(C)c1cccc(C(C)C)c1/N=C(/Nc1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C37H37N2P/c1-27(2)32-23-16-24-33(28(3)4)36(32)39-37(29-17-8-5-9-18-29)38-34-25-14-15-26-35(34)40(30-19-10-6-11-20-30)31-21-12-7-13-22-31/h5-28H,1-4H3,(H,38,39)
InChIKeyUJTYXBVVVKSWOP-UHFFFAOYSA-N
XLogP8.88
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.69
LogP ≤ 58.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

chromium(3+);N'-(2-diphenylphosphanylphenyl)-N-[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide;oxolane;trichloride
CID 139169434
N-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]benzamide
CID 136845607
N'-methyl-N-(2-propan-2-ylphenyl)benzenecarboximidamide
CID 8007615
N'-[2,6-di(propan-2-yl)phenyl]-N-[2-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]anilino]benzenecarboximidamide
CID 87703997
(3E)-3-[(2-diphenylphosphanylanilino)-phenylmethylidene]-1,1-diethylthiourea
CID 177451514
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
N-[2,6-di(propan-2-yl)phenyl]benzenecarboximidoyl chloride
CID 22596623
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
bis([2,6-di(propan-2-yl)phenyl]-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]azanide);molybdenum
CID 139115698
N-(4-chlorophenyl)-N'-(2-diphenylphosphanylphenyl)benzenecarboximidamide
CID 57380497
N-(2-propan-2-ylphenyl)benzamide
CID 723391
CID 177436668
CID 177436668

Frequently Asked Questions

What is the IUPAC name of N-(2-diphenylphosphanylphenyl)-N'-[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide?
The IUPAC name of N-(2-diphenylphosphanylphenyl)-N'-[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide (CID 132582428) is N-(2-diphenylphosphanylphenyl)-N'-[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide.
What is the SMILES notation for N-(2-diphenylphosphanylphenyl)-N'-[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide?
The canonical SMILES for N-(2-diphenylphosphanylphenyl)-N'-[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide is CC(C)c1cccc(C(C)C)c1/N=C(/Nc1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-diphenylphosphanylphenyl)-N'-[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide?
The InChIKey is UJTYXBVVVKSWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37N2P/c1-27(2)32-23-16-24-33(28(3)4)36(32)39-37(29-17-8-5-9-18-29)38-34-25-14-15-26-35(34)40(30-19-10-6-11-20-30)31-21-12-7-13-22-31/h5-28H,1-4H3,(H,38,39).
What are the key properties of N-(2-diphenylphosphanylphenyl)-N'-[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide?
N-(2-diphenylphosphanylphenyl)-N'-[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide has a molecular weight of 540.69 g/mol, XLogP of 8.88, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-diphenylphosphanylphenyl)-N'-[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide is sourced from PubChem (CID 132582428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).