N-[[chloro-(diethylamino)-diphenyl-lambda5-phosphanyl]methylidene-diphenyl-lambda5-phosphanyl]-N-ethylethanamine

C33H41ClN2P2 — CID 12670171

IUPACN-[[chloro-(diethylamino)-diphenyl-lambda5-phosphanyl]methylidene-diphenyl-lambda5-phosphanyl]-N-ethylethanamine
SMILESCCN(CC)P(=CP(Cl)(c1ccccc1)(c1ccccc1)N(CC)CC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H41ClN2P2/c1-5-35(6-2)37(30-21-13-9-14-22-30,31-23-15-10-16-24-31)29-38(34,36(7-3)8-4,32-25-17-11-18-26-32)33-27-19-12-20-28-33/h9-29H,5-8H2,1-4H3
InChIKeyMTWQQOKTYDXQHF-UHFFFAOYSA-N
MW563.11 g/mol
LogP7.29
Rot. Bonds11

About N-[[chloro-(diethylamino)-diphenyl-lambda5-phosphanyl]methylidene-diphenyl-lambda5-phosphanyl]-N-ethylethanamine

N-[[chloro-(diethylamino)-diphenyl-lambda5-phosphanyl]methylidene-diphenyl-lambda5-phosphanyl]-N-ethylethanamine (PubChem CID 12670171) has the molecular formula C33H41ClN2P2 and a molecular weight of 563.11 g/mol. Its IUPAC name is N-[[chloro-(diethylamino)-diphenyl-lambda5-phosphanyl]methylidene-diphenyl-lambda5-phosphanyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[chloro-(diethylamino)-diphenyl-lambda5-phosphanyl]methylidene-diphenyl-lambda5-phosphanyl]-N-ethylethanamine
PubChem CID12670171
Molecular FormulaC33H41ClN2P2
Molecular Weight563.11 g/mol
Exact Mass562.24
IUPAC NameN-[[chloro-(diethylamino)-diphenyl-lambda5-phosphanyl]methylidene-diphenyl-lambda5-phosphanyl]-N-ethylethanamine
SMILESCCN(CC)P(=CP(Cl)(c1ccccc1)(c1ccccc1)N(CC)CC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H41ClN2P2/c1-5-35(6-2)37(30-21-13-9-14-22-30,31-23-15-10-16-24-31)29-38(34,36(7-3)8-4,32-25-17-11-18-26-32)33-27-19-12-20-28-33/h9-29H,5-8H2,1-4H3
InChIKeyMTWQQOKTYDXQHF-UHFFFAOYSA-N
XLogP7.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.11
LogP ≤ 57.29
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-[[chloro-(diethylamino)-diphenyl-lambda5-phosphanyl]methylidene-diphenyl-lambda5-phosphanyl]-N-ethylethanamine?
The IUPAC name of N-[[chloro-(diethylamino)-diphenyl-lambda5-phosphanyl]methylidene-diphenyl-lambda5-phosphanyl]-N-ethylethanamine (CID 12670171) is N-[[chloro-(diethylamino)-diphenyl-lambda5-phosphanyl]methylidene-diphenyl-lambda5-phosphanyl]-N-ethylethanamine.
What is the SMILES notation for N-[[chloro-(diethylamino)-diphenyl-lambda5-phosphanyl]methylidene-diphenyl-lambda5-phosphanyl]-N-ethylethanamine?
The canonical SMILES for N-[[chloro-(diethylamino)-diphenyl-lambda5-phosphanyl]methylidene-diphenyl-lambda5-phosphanyl]-N-ethylethanamine is CCN(CC)P(=CP(Cl)(c1ccccc1)(c1ccccc1)N(CC)CC)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[[chloro-(diethylamino)-diphenyl-lambda5-phosphanyl]methylidene-diphenyl-lambda5-phosphanyl]-N-ethylethanamine?
The InChIKey is MTWQQOKTYDXQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41ClN2P2/c1-5-35(6-2)37(30-21-13-9-14-22-30,31-23-15-10-16-24-31)29-38(34,36(7-3)8-4,32-25-17-11-18-26-32)33-27-19-12-20-28-33/h9-29H,5-8H2,1-4H3.
What are the key properties of N-[[chloro-(diethylamino)-diphenyl-lambda5-phosphanyl]methylidene-diphenyl-lambda5-phosphanyl]-N-ethylethanamine?
N-[[chloro-(diethylamino)-diphenyl-lambda5-phosphanyl]methylidene-diphenyl-lambda5-phosphanyl]-N-ethylethanamine has a molecular weight of 563.11 g/mol, XLogP of 7.29, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[chloro-(diethylamino)-diphenyl-lambda5-phosphanyl]methylidene-diphenyl-lambda5-phosphanyl]-N-ethylethanamine is sourced from PubChem (CID 12670171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).