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

C28H30N2O2P2 — CID 71130902

IUPAC1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-dimethylethane-1,1-diamine
SMILESCC(N(C)P(=O)(c1ccccc1)c1ccccc1)N(C)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H30N2O2P2/c1-24(29(2)33(31,25-16-8-4-9-17-25)26-18-10-5-11-19-26)30(3)34(32,27-20-12-6-13-21-27)28-22-14-7-15-23-28/h4-24H,1-3H3
InChIKeyPHQRVVWAUMHWAN-UHFFFAOYSA-N
MW488.51 g/mol
LogP5.05
Rot. Bonds8

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

1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-dimethylethane-1,1-diamine (PubChem CID 71130902) has the molecular formula C28H30N2O2P2 and a molecular weight of 488.51 g/mol. Its IUPAC name is 1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-dimethylethane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-dimethylethane-1,1-diamine
PubChem CID71130902
Molecular FormulaC28H30N2O2P2
Molecular Weight488.51 g/mol
Exact Mass488.18
IUPAC Name1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-dimethylethane-1,1-diamine
SMILESCC(N(C)P(=O)(c1ccccc1)c1ccccc1)N(C)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H30N2O2P2/c1-24(29(2)33(31,25-16-8-4-9-17-25)26-18-10-5-11-19-26)30(3)34(32,27-20-12-6-13-21-27)28-22-14-7-15-23-28/h4-24H,1-3H3
InChIKeyPHQRVVWAUMHWAN-UHFFFAOYSA-N
XLogP5.05
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.51
LogP ≤ 55.05
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'-dimethylethane-1,1-diamine?
The IUPAC name of 1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-dimethylethane-1,1-diamine (CID 71130902) is 1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-dimethylethane-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-dimethylethane-1,1-diamine?
The canonical SMILES for 1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-dimethylethane-1,1-diamine is CC(N(C)P(=O)(c1ccccc1)c1ccccc1)N(C)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-dimethylethane-1,1-diamine?
The InChIKey is PHQRVVWAUMHWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O2P2/c1-24(29(2)33(31,25-16-8-4-9-17-25)26-18-10-5-11-19-26)30(3)34(32,27-20-12-6-13-21-27)28-22-14-7-15-23-28/h4-24H,1-3H3.
What are the key properties of 1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-dimethylethane-1,1-diamine?
1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-dimethylethane-1,1-diamine has a molecular weight of 488.51 g/mol, XLogP of 5.05, 8 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'-dimethylethane-1,1-diamine is sourced from PubChem (CID 71130902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).