N-[diethylamino-(2-diphenylphosphanylphenyl)phosphanyl]-N-ethylethanamine

C26H34N2P2 — CID 11091397

IUPACN-[diethylamino-(2-diphenylphosphanylphenyl)phosphanyl]-N-ethylethanamine
SMILESCCN(CC)P(c1ccccc1P(c1ccccc1)c1ccccc1)N(CC)CC
InChIInChI=1S/C26H34N2P2/c1-5-27(6-2)30(28(7-3)8-4)26-22-16-15-21-25(26)29(23-17-11-9-12-18-23)24-19-13-10-14-20-24/h9-22H,5-8H2,1-4H3
InChIKeyIPIAMVQVDRBBFD-UHFFFAOYSA-N
MW436.52 g/mol
LogP5.07
Rot. Bonds10

About N-[diethylamino-(2-diphenylphosphanylphenyl)phosphanyl]-N-ethylethanamine

N-[diethylamino-(2-diphenylphosphanylphenyl)phosphanyl]-N-ethylethanamine (PubChem CID 11091397) has the molecular formula C26H34N2P2 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[diethylamino-(2-diphenylphosphanylphenyl)phosphanyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[diethylamino-(2-diphenylphosphanylphenyl)phosphanyl]-N-ethylethanamine
PubChem CID11091397
Molecular FormulaC26H34N2P2
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC NameN-[diethylamino-(2-diphenylphosphanylphenyl)phosphanyl]-N-ethylethanamine
SMILESCCN(CC)P(c1ccccc1P(c1ccccc1)c1ccccc1)N(CC)CC
InChIInChI=1S/C26H34N2P2/c1-5-27(6-2)30(28(7-3)8-4)26-22-16-15-21-25(26)29(23-17-11-9-12-18-23)24-19-13-10-14-20-24/h9-22H,5-8H2,1-4H3
InChIKeyIPIAMVQVDRBBFD-UHFFFAOYSA-N
XLogP5.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[diethylamino-(2-diphenylphosphanylphenyl)phosphanyl]-N-ethylethanamine?
The IUPAC name of N-[diethylamino-(2-diphenylphosphanylphenyl)phosphanyl]-N-ethylethanamine (CID 11091397) is N-[diethylamino-(2-diphenylphosphanylphenyl)phosphanyl]-N-ethylethanamine.
What is the SMILES notation for N-[diethylamino-(2-diphenylphosphanylphenyl)phosphanyl]-N-ethylethanamine?
The canonical SMILES for N-[diethylamino-(2-diphenylphosphanylphenyl)phosphanyl]-N-ethylethanamine is CCN(CC)P(c1ccccc1P(c1ccccc1)c1ccccc1)N(CC)CC.
What is the InChIKey of N-[diethylamino-(2-diphenylphosphanylphenyl)phosphanyl]-N-ethylethanamine?
The InChIKey is IPIAMVQVDRBBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2P2/c1-5-27(6-2)30(28(7-3)8-4)26-22-16-15-21-25(26)29(23-17-11-9-12-18-23)24-19-13-10-14-20-24/h9-22H,5-8H2,1-4H3.
What are the key properties of N-[diethylamino-(2-diphenylphosphanylphenyl)phosphanyl]-N-ethylethanamine?
N-[diethylamino-(2-diphenylphosphanylphenyl)phosphanyl]-N-ethylethanamine has a molecular weight of 436.52 g/mol, XLogP of 5.07, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[diethylamino-(2-diphenylphosphanylphenyl)phosphanyl]-N-ethylethanamine is sourced from PubChem (CID 11091397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).