N,N'-bis(2-diphenylphosphanylphenyl)-N,N'-diethylpropane-1,3-diamine

C43H44N2P2 — CID 12969629

IUPACN,N'-bis(2-diphenylphosphanylphenyl)-N,N'-diethylpropane-1,3-diamine
SMILESCCN(CCCN(CC)c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C43H44N2P2/c1-3-44(40-30-17-19-32-42(40)46(36-22-9-5-10-23-36)37-24-11-6-12-25-37)34-21-35-45(4-2)41-31-18-20-33-43(41)47(38-26-13-7-14-27-38)39-28-15-8-16-29-39/h5-20,22-33H,3-4,21,34-35H2,1-2H3
InChIKeyDXXLKGRULJTPFV-UHFFFAOYSA-N
MW650.79 g/mol
LogP7.95
Rot. Bonds14

About N,N'-bis(2-diphenylphosphanylphenyl)-N,N'-diethylpropane-1,3-diamine

N,N'-bis(2-diphenylphosphanylphenyl)-N,N'-diethylpropane-1,3-diamine (PubChem CID 12969629) has the molecular formula C43H44N2P2 and a molecular weight of 650.79 g/mol. Its IUPAC name is N,N'-bis(2-diphenylphosphanylphenyl)-N,N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N'-bis(2-diphenylphosphanylphenyl)-N,N'-diethylpropane-1,3-diamine
PubChem CID12969629
Molecular FormulaC43H44N2P2
Molecular Weight650.79 g/mol
Exact Mass650.30
IUPAC NameN,N'-bis(2-diphenylphosphanylphenyl)-N,N'-diethylpropane-1,3-diamine
SMILESCCN(CCCN(CC)c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C43H44N2P2/c1-3-44(40-30-17-19-32-42(40)46(36-22-9-5-10-23-36)37-24-11-6-12-25-37)34-21-35-45(4-2)41-31-18-20-33-43(41)47(38-26-13-7-14-27-38)39-28-15-8-16-29-39/h5-20,22-33H,3-4,21,34-35H2,1-2H3
InChIKeyDXXLKGRULJTPFV-UHFFFAOYSA-N
XLogP7.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.79
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-diphenylphosphanyl-N,N-diethylaniline
CID 13103880
N-[3-(N-acetyl-2-diphenylphosphanylanilino)propyl]-N-(2-diphenylphosphanylphenyl)acetamide
CID 12969627
2-diphenylphosphanyl-N-(2-diphenylphosphanyloxyethyl)-N-methylaniline
CID 102355584
2-diphenylphosphanyl-N-methyl-N-(2-phenyldiazenylethyl)aniline
CID 138547419
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
2-[3-(diethylamino)propyl-ethylamino]benzoic acid
CID 102994009
(2-ethylphenyl)-diphenylphosphane;hydrobromide
CID 172692670
(2-butylphenyl)-diphenylphosphane;hydrobromide
CID 173070100
(2-pentylphenyl)-diphenylphosphane
CID 22731138
butane;triphenylphosphane
CID 161447439
N'-ethyl-N'-(2-ethylphenyl)propane-1,3-diamine
CID 28772957
[2-[(2-diphenylphosphanylphenyl)-diethylsilyl]phenyl]-diphenylphosphane
CID 102440312

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-diphenylphosphanylphenyl)-N,N'-diethylpropane-1,3-diamine?
The IUPAC name of N,N'-bis(2-diphenylphosphanylphenyl)-N,N'-diethylpropane-1,3-diamine (CID 12969629) is N,N'-bis(2-diphenylphosphanylphenyl)-N,N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N,N'-bis(2-diphenylphosphanylphenyl)-N,N'-diethylpropane-1,3-diamine?
The canonical SMILES for N,N'-bis(2-diphenylphosphanylphenyl)-N,N'-diethylpropane-1,3-diamine is CCN(CCCN(CC)c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N'-bis(2-diphenylphosphanylphenyl)-N,N'-diethylpropane-1,3-diamine?
The InChIKey is DXXLKGRULJTPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H44N2P2/c1-3-44(40-30-17-19-32-42(40)46(36-22-9-5-10-23-36)37-24-11-6-12-25-37)34-21-35-45(4-2)41-31-18-20-33-43(41)47(38-26-13-7-14-27-38)39-28-15-8-16-29-39/h5-20,22-33H,3-4,21,34-35H2,1-2H3.
What are the key properties of N,N'-bis(2-diphenylphosphanylphenyl)-N,N'-diethylpropane-1,3-diamine?
N,N'-bis(2-diphenylphosphanylphenyl)-N,N'-diethylpropane-1,3-diamine has a molecular weight of 650.79 g/mol, XLogP of 7.95, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-diphenylphosphanylphenyl)-N,N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 12969629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).