N-[[diethylamino(diphenyl)-λ5-phosphanylidene]methylidene-diphenyl-λ5-phosphanyl]-N-ethylethanamine

C33H40N2P2 — CID 12670175

IUPACN-[[diethylamino(diphenyl)-λ5-phosphanylidene]methylidene-diphenyl-λ5-phosphanyl]-N-ethylethanamine
SMILESCCN(CC)P(=C=P(c1ccccc1)(c1ccccc1)N(CC)CC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H40N2P2/c1-5-34(6-2)36(30-21-13-9-14-22-30,31-23-15-10-16-24-31)29-37(35(7-3)8-4,32-25-17-11-18-26-32)33-27-19-12-20-28-33/h9-28H,5-8H2,1-4H3
InChIKeyPIVHNGWLPMVIBV-UHFFFAOYSA-N
MW526.65 g/mol
LogP6.47
Rot. Bonds10

About N-[[diethylamino(diphenyl)-λ5-phosphanylidene]methylidene-diphenyl-λ5-phosphanyl]-N-ethylethanamine

N-[[diethylamino(diphenyl)-λ5-phosphanylidene]methylidene-diphenyl-λ5-phosphanyl]-N-ethylethanamine (PubChem CID 12670175) has the molecular formula C33H40N2P2 and a molecular weight of 526.65 g/mol. Its IUPAC name is N-[[diethylamino(diphenyl)-λ5-phosphanylidene]methylidene-diphenyl-λ5-phosphanyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[diethylamino(diphenyl)-λ5-phosphanylidene]methylidene-diphenyl-λ5-phosphanyl]-N-ethylethanamine
PubChem CID12670175
Molecular FormulaC33H40N2P2
Molecular Weight526.65 g/mol
Exact Mass526.27
IUPAC NameN-[[diethylamino(diphenyl)-λ5-phosphanylidene]methylidene-diphenyl-λ5-phosphanyl]-N-ethylethanamine
SMILESCCN(CC)P(=C=P(c1ccccc1)(c1ccccc1)N(CC)CC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H40N2P2/c1-5-34(6-2)36(30-21-13-9-14-22-30,31-23-15-10-16-24-31)29-37(35(7-3)8-4,32-25-17-11-18-26-32)33-27-19-12-20-28-33/h9-28H,5-8H2,1-4H3
InChIKeyPIVHNGWLPMVIBV-UHFFFAOYSA-N
XLogP6.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.65
LogP ≤ 56.47
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(diphenyl)-λ5-phosphanylidene]methylidene-diphenyl-λ5-phosphanyl]-N-ethylethanamine?
The IUPAC name of N-[[diethylamino(diphenyl)-λ5-phosphanylidene]methylidene-diphenyl-λ5-phosphanyl]-N-ethylethanamine (CID 12670175) is N-[[diethylamino(diphenyl)-λ5-phosphanylidene]methylidene-diphenyl-λ5-phosphanyl]-N-ethylethanamine.
What is the SMILES notation for N-[[diethylamino(diphenyl)-λ5-phosphanylidene]methylidene-diphenyl-λ5-phosphanyl]-N-ethylethanamine?
The canonical SMILES for N-[[diethylamino(diphenyl)-λ5-phosphanylidene]methylidene-diphenyl-λ5-phosphanyl]-N-ethylethanamine is CCN(CC)P(=C=P(c1ccccc1)(c1ccccc1)N(CC)CC)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[[diethylamino(diphenyl)-λ5-phosphanylidene]methylidene-diphenyl-λ5-phosphanyl]-N-ethylethanamine?
The InChIKey is PIVHNGWLPMVIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N2P2/c1-5-34(6-2)36(30-21-13-9-14-22-30,31-23-15-10-16-24-31)29-37(35(7-3)8-4,32-25-17-11-18-26-32)33-27-19-12-20-28-33/h9-28H,5-8H2,1-4H3.
What are the key properties of N-[[diethylamino(diphenyl)-λ5-phosphanylidene]methylidene-diphenyl-λ5-phosphanyl]-N-ethylethanamine?
N-[[diethylamino(diphenyl)-λ5-phosphanylidene]methylidene-diphenyl-λ5-phosphanyl]-N-ethylethanamine has a molecular weight of 526.65 g/mol, XLogP of 6.47, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[diethylamino(diphenyl)-λ5-phosphanylidene]methylidene-diphenyl-λ5-phosphanyl]-N-ethylethanamine is sourced from PubChem (CID 12670175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).