1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-diethylethane-1,1-diamine

C30H34N2O2P2 — CID 71130906

IUPAC1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-diethylethane-1,1-diamine
SMILESCCN(C(C)N(CC)P(=O)(c1ccccc1)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H34N2O2P2/c1-4-31(35(33,27-18-10-6-11-19-27)28-20-12-7-13-21-28)26(3)32(5-2)36(34,29-22-14-8-15-23-29)30-24-16-9-17-25-30/h6-26H,4-5H2,1-3H3
InChIKeyWAPXSPXTNDSCCR-UHFFFAOYSA-N
MW516.56 g/mol
LogP5.83
Rot. Bonds10

About 1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-diethylethane-1,1-diamine

1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-diethylethane-1,1-diamine (PubChem CID 71130906) has the molecular formula C30H34N2O2P2 and a molecular weight of 516.56 g/mol. Its IUPAC name is 1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-diethylethane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-diethylethane-1,1-diamine
PubChem CID71130906
Molecular FormulaC30H34N2O2P2
Molecular Weight516.56 g/mol
Exact Mass516.21
IUPAC Name1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-diethylethane-1,1-diamine
SMILESCCN(C(C)N(CC)P(=O)(c1ccccc1)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H34N2O2P2/c1-4-31(35(33,27-18-10-6-11-19-27)28-20-12-7-13-21-28)26(3)32(5-2)36(34,29-22-14-8-15-23-29)30-24-16-9-17-25-30/h6-26H,4-5H2,1-3H3
InChIKeyWAPXSPXTNDSCCR-UHFFFAOYSA-N
XLogP5.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.56
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-diethylethane-1,1-diamine?
The IUPAC name of 1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-diethylethane-1,1-diamine (CID 71130906) is 1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-diethylethane-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-diethylethane-1,1-diamine?
The canonical SMILES for 1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-diethylethane-1,1-diamine is CCN(C(C)N(CC)P(=O)(c1ccccc1)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-diethylethane-1,1-diamine?
The InChIKey is WAPXSPXTNDSCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O2P2/c1-4-31(35(33,27-18-10-6-11-19-27)28-20-12-7-13-21-28)26(3)32(5-2)36(34,29-22-14-8-15-23-29)30-24-16-9-17-25-30/h6-26H,4-5H2,1-3H3.
What are the key properties of 1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-diethylethane-1,1-diamine?
1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-diethylethane-1,1-diamine has a molecular weight of 516.56 g/mol, XLogP of 5.83, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-diethylethane-1,1-diamine is sourced from PubChem (CID 71130906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).