disodium;N',N'-bis(diphenylphosphanylmethyl)-N-(2-phosphonatoethyl)ethane-1,2-diamine

C30H33N2Na2O3P3 — CID 10974092

IUPACdisodium;N',N'-bis(diphenylphosphanylmethyl)-N-(2-phosphonatoethyl)ethane-1,2-diamine
SMILESO=P([O-])([O-])CCNCCN(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1.[Na+].[Na+]
InChIInChI=1S/C30H35N2O3P3.2Na/c33-38(34,35)24-22-31-21-23-32(25-36(27-13-5-1-6-14-27)28-15-7-2-8-16-28)26-37(29-17-9-3-10-18-29)30-19-11-4-12-20-30;;/h1-20,31H,21-26H2,(H2,33,34,35);;/q;2*+1/p-2
InChIKeyNVVNGSMVXQIXNE-UHFFFAOYSA-L
MW608.51 g/mol
LogP-3.02
Rot. Bonds14

About disodium;N',N'-bis(diphenylphosphanylmethyl)-N-(2-phosphonatoethyl)ethane-1,2-diamine

disodium;N',N'-bis(diphenylphosphanylmethyl)-N-(2-phosphonatoethyl)ethane-1,2-diamine (PubChem CID 10974092) has the molecular formula C30H33N2Na2O3P3 and a molecular weight of 608.51 g/mol. Its IUPAC name is disodium;N',N'-bis(diphenylphosphanylmethyl)-N-(2-phosphonatoethyl)ethane-1,2-diamine.

Molecular Properties

Compound Namedisodium;N',N'-bis(diphenylphosphanylmethyl)-N-(2-phosphonatoethyl)ethane-1,2-diamine
PubChem CID10974092
Molecular FormulaC30H33N2Na2O3P3
Molecular Weight608.51 g/mol
Exact Mass608.15
IUPAC Namedisodium;N',N'-bis(diphenylphosphanylmethyl)-N-(2-phosphonatoethyl)ethane-1,2-diamine
SMILESO=P([O-])([O-])CCNCCN(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1.[Na+].[Na+]
InChIInChI=1S/C30H35N2O3P3.2Na/c33-38(34,35)24-22-31-21-23-32(25-36(27-13-5-1-6-14-27)28-15-7-2-8-16-28)26-37(29-17-9-3-10-18-29)30-19-11-4-12-20-30;;/h1-20,31H,21-26H2,(H2,33,34,35);;/q;2*+1/p-2
InChIKeyNVVNGSMVXQIXNE-UHFFFAOYSA-L
XLogP-3.02
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.51
LogP ≤ 5-3.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[bis(diphenylphosphanylmethyl)amino]propan-1-ol
CID 101203232
N'-[2-[2-(dibenzylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 138740161
2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine;methylidyneoxidanium;ruthenium(2+);chloride
CID 170920405
N'-[2-[2-aminoethyl(benzyl)amino]ethyl]ethane-1,2-diamine
CID 101461919
1-[2-[bis[2-(diphenylphosphanyloxycarbamoylamino)ethyl]amino]ethyl]-3-diphenylphosphanyloxyurea
CID 90390049
2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium
CID 90421643
[2-benzamidoethyl(phosphonomethyl)amino]methylphosphonic acid
CID 13159891
bis(2,2-dimethylpropanoate);2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium(2+)
CID 159312265
N',N'-bis(2-diphenylphosphanylethyl)butanediamide
CID 88556678
bis(copper(1+));bis(N-(diphenylphosphanylmethyl)-N-[[10-[[diphenylphosphanylmethyl(propyl)amino]methyl]anthracen-9-yl]methyl]propan-1-amine);diperchlorate
CID 11982603
copper dioxido-oxo-phenyl-λ5-phosphane
CID 68627267
N-(2-aminoethyl)benzamide;ethane
CID 143976252

Frequently Asked Questions

What is the IUPAC name of disodium;N',N'-bis(diphenylphosphanylmethyl)-N-(2-phosphonatoethyl)ethane-1,2-diamine?
The IUPAC name of disodium;N',N'-bis(diphenylphosphanylmethyl)-N-(2-phosphonatoethyl)ethane-1,2-diamine (CID 10974092) is disodium;N',N'-bis(diphenylphosphanylmethyl)-N-(2-phosphonatoethyl)ethane-1,2-diamine.
What is the SMILES notation for disodium;N',N'-bis(diphenylphosphanylmethyl)-N-(2-phosphonatoethyl)ethane-1,2-diamine?
The canonical SMILES for disodium;N',N'-bis(diphenylphosphanylmethyl)-N-(2-phosphonatoethyl)ethane-1,2-diamine is O=P([O-])([O-])CCNCCN(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1.[Na+].[Na+].
What is the InChIKey of disodium;N',N'-bis(diphenylphosphanylmethyl)-N-(2-phosphonatoethyl)ethane-1,2-diamine?
The InChIKey is NVVNGSMVXQIXNE-UHFFFAOYSA-L. The full InChI is InChI=1S/C30H35N2O3P3.2Na/c33-38(34,35)24-22-31-21-23-32(25-36(27-13-5-1-6-14-27)28-15-7-2-8-16-28)26-37(29-17-9-3-10-18-29)30-19-11-4-12-20-30;;/h1-20,31H,21-26H2,(H2,33,34,35);;/q;2*+1/p-2.
What are the key properties of disodium;N',N'-bis(diphenylphosphanylmethyl)-N-(2-phosphonatoethyl)ethane-1,2-diamine?
disodium;N',N'-bis(diphenylphosphanylmethyl)-N-(2-phosphonatoethyl)ethane-1,2-diamine has a molecular weight of 608.51 g/mol, XLogP of -3.02, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;N',N'-bis(diphenylphosphanylmethyl)-N-(2-phosphonatoethyl)ethane-1,2-diamine is sourced from PubChem (CID 10974092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).