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

C27H34N2P2 — CID 89252088

IUPACN'-(2-diphenylphosphanylethyl)-2-di(propan-2-yl)phosphanylbenzenecarboximidamide
SMILESCC(C)P(c1ccccc1/C(N)=N/CCP(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C27H34N2P2/c1-21(2)31(22(3)4)26-18-12-11-17-25(26)27(28)29-19-20-30(23-13-7-5-8-14-23)24-15-9-6-10-16-24/h5-18,21-22H,19-20H2,1-4H3,(H2,28,29)
InChIKeySTPQGWCHIVCKNL-UHFFFAOYSA-N
MW448.53 g/mol
LogP5.45
Rot. Bonds9

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

N'-(2-diphenylphosphanylethyl)-2-di(propan-2-yl)phosphanylbenzenecarboximidamide (PubChem CID 89252088) has the molecular formula C27H34N2P2 and a molecular weight of 448.53 g/mol. Its IUPAC name is N'-(2-diphenylphosphanylethyl)-2-di(propan-2-yl)phosphanylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-(2-diphenylphosphanylethyl)-2-di(propan-2-yl)phosphanylbenzenecarboximidamide
PubChem CID89252088
Molecular FormulaC27H34N2P2
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC NameN'-(2-diphenylphosphanylethyl)-2-di(propan-2-yl)phosphanylbenzenecarboximidamide
SMILESCC(C)P(c1ccccc1/C(N)=N/CCP(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C27H34N2P2/c1-21(2)31(22(3)4)26-18-12-11-17-25(26)27(28)29-19-20-30(23-13-7-5-8-14-23)24-15-9-6-10-16-24/h5-18,21-22H,19-20H2,1-4H3,(H2,28,29)
InChIKeySTPQGWCHIVCKNL-UHFFFAOYSA-N
XLogP5.45
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.53
LogP ≤ 55.45
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)-2-di(propan-2-yl)phosphanylbenzenecarboximidamide?
The IUPAC name of N'-(2-diphenylphosphanylethyl)-2-di(propan-2-yl)phosphanylbenzenecarboximidamide (CID 89252088) is N'-(2-diphenylphosphanylethyl)-2-di(propan-2-yl)phosphanylbenzenecarboximidamide.
What is the SMILES notation for N'-(2-diphenylphosphanylethyl)-2-di(propan-2-yl)phosphanylbenzenecarboximidamide?
The canonical SMILES for N'-(2-diphenylphosphanylethyl)-2-di(propan-2-yl)phosphanylbenzenecarboximidamide is CC(C)P(c1ccccc1/C(N)=N/CCP(c1ccccc1)c1ccccc1)C(C)C.
What is the InChIKey of N'-(2-diphenylphosphanylethyl)-2-di(propan-2-yl)phosphanylbenzenecarboximidamide?
The InChIKey is STPQGWCHIVCKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2P2/c1-21(2)31(22(3)4)26-18-12-11-17-25(26)27(28)29-19-20-30(23-13-7-5-8-14-23)24-15-9-6-10-16-24/h5-18,21-22H,19-20H2,1-4H3,(H2,28,29).
What are the key properties of N'-(2-diphenylphosphanylethyl)-2-di(propan-2-yl)phosphanylbenzenecarboximidamide?
N'-(2-diphenylphosphanylethyl)-2-di(propan-2-yl)phosphanylbenzenecarboximidamide has a molecular weight of 448.53 g/mol, XLogP of 5.45, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-diphenylphosphanylethyl)-2-di(propan-2-yl)phosphanylbenzenecarboximidamide is sourced from PubChem (CID 89252088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).