N'-(2-diphenylphosphanylethyl)-N-di(propan-2-yl)phosphanylbenzenecarboximidamide

C27H34N2P2 — CID 88919098

IUPACN'-(2-diphenylphosphanylethyl)-N-di(propan-2-yl)phosphanylbenzenecarboximidamide
SMILESCC(C)P(N/C(=N\CCP(c1ccccc1)c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C27H34N2P2/c1-22(2)31(23(3)4)29-27(24-14-8-5-9-15-24)28-20-21-30(25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,22-23H,20-21H2,1-4H3,(H,28,29)
InChIKeyLEDFUXGTRDNECI-UHFFFAOYSA-N
MW448.53 g/mol
LogP6.37
Rot. Bonds9

About N'-(2-diphenylphosphanylethyl)-N-di(propan-2-yl)phosphanylbenzenecarboximidamide

N'-(2-diphenylphosphanylethyl)-N-di(propan-2-yl)phosphanylbenzenecarboximidamide (PubChem CID 88919098) has the molecular formula C27H34N2P2 and a molecular weight of 448.53 g/mol. Its IUPAC name is N'-(2-diphenylphosphanylethyl)-N-di(propan-2-yl)phosphanylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-(2-diphenylphosphanylethyl)-N-di(propan-2-yl)phosphanylbenzenecarboximidamide
PubChem CID88919098
Molecular FormulaC27H34N2P2
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC NameN'-(2-diphenylphosphanylethyl)-N-di(propan-2-yl)phosphanylbenzenecarboximidamide
SMILESCC(C)P(N/C(=N\CCP(c1ccccc1)c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C27H34N2P2/c1-22(2)31(23(3)4)29-27(24-14-8-5-9-15-24)28-20-21-30(25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,22-23H,20-21H2,1-4H3,(H,28,29)
InChIKeyLEDFUXGTRDNECI-UHFFFAOYSA-N
XLogP6.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.53
LogP ≤ 56.37
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'-(2-diphenylphosphanylethyl)-N-di(propan-2-yl)phosphanylbenzenecarboximidamide?
The IUPAC name of N'-(2-diphenylphosphanylethyl)-N-di(propan-2-yl)phosphanylbenzenecarboximidamide (CID 88919098) is N'-(2-diphenylphosphanylethyl)-N-di(propan-2-yl)phosphanylbenzenecarboximidamide.
What is the SMILES notation for N'-(2-diphenylphosphanylethyl)-N-di(propan-2-yl)phosphanylbenzenecarboximidamide?
The canonical SMILES for N'-(2-diphenylphosphanylethyl)-N-di(propan-2-yl)phosphanylbenzenecarboximidamide is CC(C)P(N/C(=N\CCP(c1ccccc1)c1ccccc1)c1ccccc1)C(C)C.
What is the InChIKey of N'-(2-diphenylphosphanylethyl)-N-di(propan-2-yl)phosphanylbenzenecarboximidamide?
The InChIKey is LEDFUXGTRDNECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2P2/c1-22(2)31(23(3)4)29-27(24-14-8-5-9-15-24)28-20-21-30(25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,22-23H,20-21H2,1-4H3,(H,28,29).
What are the key properties of N'-(2-diphenylphosphanylethyl)-N-di(propan-2-yl)phosphanylbenzenecarboximidamide?
N'-(2-diphenylphosphanylethyl)-N-di(propan-2-yl)phosphanylbenzenecarboximidamide has a molecular weight of 448.53 g/mol, XLogP of 6.37, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-diphenylphosphanylethyl)-N-di(propan-2-yl)phosphanylbenzenecarboximidamide is sourced from PubChem (CID 88919098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).