2-diphenylphosphanyl-N'-(2-diphenylphosphanylethyl)benzenecarboximidamide

C33H30N2P2 — CID 87345107

IUPAC2-diphenylphosphanyl-N'-(2-diphenylphosphanylethyl)benzenecarboximidamide
SMILESN/C(=N\CCP(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H30N2P2/c34-33(35-25-26-36(27-15-5-1-6-16-27)28-17-7-2-8-18-28)31-23-13-14-24-32(31)37(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-24H,25-26H2,(H2,34,35)
InChIKeyFUUNRQKINSTQRY-UHFFFAOYSA-N
MW516.57 g/mol
LogP5.28
Rot. Bonds9

About 2-diphenylphosphanyl-N'-(2-diphenylphosphanylethyl)benzenecarboximidamide

2-diphenylphosphanyl-N'-(2-diphenylphosphanylethyl)benzenecarboximidamide (PubChem CID 87345107) has the molecular formula C33H30N2P2 and a molecular weight of 516.57 g/mol. Its IUPAC name is 2-diphenylphosphanyl-N'-(2-diphenylphosphanylethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-diphenylphosphanyl-N'-(2-diphenylphosphanylethyl)benzenecarboximidamide
PubChem CID87345107
Molecular FormulaC33H30N2P2
Molecular Weight516.57 g/mol
Exact Mass516.19
IUPAC Name2-diphenylphosphanyl-N'-(2-diphenylphosphanylethyl)benzenecarboximidamide
SMILESN/C(=N\CCP(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H30N2P2/c34-33(35-25-26-36(27-15-5-1-6-16-27)28-17-7-2-8-18-28)31-23-13-14-24-32(31)37(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-24H,25-26H2,(H2,34,35)
InChIKeyFUUNRQKINSTQRY-UHFFFAOYSA-N
XLogP5.28
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.57
LogP ≤ 55.28
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

N'-(2-diphenylphosphanylethyl)-2-di(propan-2-yl)phosphanylbenzenecarboximidamide
CID 89252088
bis(2-diphenylphosphanylbenzoic acid);palladium(2+);dichloride
CID 10190846
2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(1+));bis(triphenylphosphane);dichloride
CID 11981349
1-(2-diphenylphosphanylphenyl)-2-phenylethanone
CID 59804946
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
1-(2-diphenylphosphanylphenyl)propane-1,2-dione;rhodium
CID 175984938
1-(2-diphenylphosphanylphenyl)ethanimine
CID 139968166
2-diphenylphosphanylethylazanium tetrafluoroborate
CID 71463643
1-(2-diphenylphosphanylphenyl)-2-methylpropan-1-one
CID 146507667
bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
CID 173374421
butyl 2-diphenylphosphanylbenzoate
CID 87329990

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphanyl-N'-(2-diphenylphosphanylethyl)benzenecarboximidamide?
The IUPAC name of 2-diphenylphosphanyl-N'-(2-diphenylphosphanylethyl)benzenecarboximidamide (CID 87345107) is 2-diphenylphosphanyl-N'-(2-diphenylphosphanylethyl)benzenecarboximidamide.
What is the SMILES notation for 2-diphenylphosphanyl-N'-(2-diphenylphosphanylethyl)benzenecarboximidamide?
The canonical SMILES for 2-diphenylphosphanyl-N'-(2-diphenylphosphanylethyl)benzenecarboximidamide is N/C(=N\CCP(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphanyl-N'-(2-diphenylphosphanylethyl)benzenecarboximidamide?
The InChIKey is FUUNRQKINSTQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N2P2/c34-33(35-25-26-36(27-15-5-1-6-16-27)28-17-7-2-8-18-28)31-23-13-14-24-32(31)37(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-24H,25-26H2,(H2,34,35).
What are the key properties of 2-diphenylphosphanyl-N'-(2-diphenylphosphanylethyl)benzenecarboximidamide?
2-diphenylphosphanyl-N'-(2-diphenylphosphanylethyl)benzenecarboximidamide has a molecular weight of 516.57 g/mol, XLogP of 5.28, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanyl-N'-(2-diphenylphosphanylethyl)benzenecarboximidamide is sourced from PubChem (CID 87345107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).