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

C33H30N2P2 — CID 87345110

IUPACN-diphenylphosphanyl-N'-(2-diphenylphosphanylethyl)benzenecarboximidamide
SMILESc1ccc(/C(=N\CCP(c2ccccc2)c2ccccc2)NP(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H30N2P2/c1-6-16-28(17-7-1)33(35-37(31-22-12-4-13-23-31)32-24-14-5-15-25-32)34-26-27-36(29-18-8-2-9-19-29)30-20-10-3-11-21-30/h1-25H,26-27H2,(H,34,35)
InChIKeyFOEIYOKZHLWQIT-UHFFFAOYSA-N
MW516.57 g/mol
LogP6.20
Rot. Bonds9

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

N-diphenylphosphanyl-N'-(2-diphenylphosphanylethyl)benzenecarboximidamide (PubChem CID 87345110) has the molecular formula C33H30N2P2 and a molecular weight of 516.57 g/mol. Its IUPAC name is N-diphenylphosphanyl-N'-(2-diphenylphosphanylethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN-diphenylphosphanyl-N'-(2-diphenylphosphanylethyl)benzenecarboximidamide
PubChem CID87345110
Molecular FormulaC33H30N2P2
Molecular Weight516.57 g/mol
Exact Mass516.19
IUPAC NameN-diphenylphosphanyl-N'-(2-diphenylphosphanylethyl)benzenecarboximidamide
SMILESc1ccc(/C(=N\CCP(c2ccccc2)c2ccccc2)NP(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H30N2P2/c1-6-16-28(17-7-1)33(35-37(31-22-12-4-13-23-31)32-24-14-5-15-25-32)34-26-27-36(29-18-8-2-9-19-29)30-20-10-3-11-21-30/h1-25H,26-27H2,(H,34,35)
InChIKeyFOEIYOKZHLWQIT-UHFFFAOYSA-N
XLogP6.20
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.57
LogP ≤ 56.20
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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Frequently Asked Questions

What is the IUPAC name of N-diphenylphosphanyl-N'-(2-diphenylphosphanylethyl)benzenecarboximidamide?
The IUPAC name of N-diphenylphosphanyl-N'-(2-diphenylphosphanylethyl)benzenecarboximidamide (CID 87345110) is N-diphenylphosphanyl-N'-(2-diphenylphosphanylethyl)benzenecarboximidamide.
What is the SMILES notation for N-diphenylphosphanyl-N'-(2-diphenylphosphanylethyl)benzenecarboximidamide?
The canonical SMILES for N-diphenylphosphanyl-N'-(2-diphenylphosphanylethyl)benzenecarboximidamide is c1ccc(/C(=N\CCP(c2ccccc2)c2ccccc2)NP(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-diphenylphosphanyl-N'-(2-diphenylphosphanylethyl)benzenecarboximidamide?
The InChIKey is FOEIYOKZHLWQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N2P2/c1-6-16-28(17-7-1)33(35-37(31-22-12-4-13-23-31)32-24-14-5-15-25-32)34-26-27-36(29-18-8-2-9-19-29)30-20-10-3-11-21-30/h1-25H,26-27H2,(H,34,35).
What are the key properties of N-diphenylphosphanyl-N'-(2-diphenylphosphanylethyl)benzenecarboximidamide?
N-diphenylphosphanyl-N'-(2-diphenylphosphanylethyl)benzenecarboximidamide has a molecular weight of 516.57 g/mol, XLogP of 6.20, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphanyl-N'-(2-diphenylphosphanylethyl)benzenecarboximidamide is sourced from PubChem (CID 87345110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).