sodium;2-[[6-[4-[4-(4-aminophenyl)phenyl]-6-[6-[[bis(carboxylatomethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]methyl-(carboxylatomethyl)amino]acetate;europium(3+)

C37H30EuN6NaO8 — CID 44629911

IUPACsodium;2-[[6-[4-[4-(4-aminophenyl)phenyl]-6-[6-[[bis(carboxylatomethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]methyl-(carboxylatomethyl)amino]acetate;europium(3+)
SMILESNc1ccc(-c2ccc(-c3cc(-c4cccc(CN(CC(=O)[O-])CC(=O)[O-])n4)nc(-c4cccc(CN(CC(=O)[O-])CC(=O)[O-])n4)c3)cc2)cc1.[Eu+3].[Na+]
InChIInChI=1S/C37H34N6O8.Eu.Na/c38-27-13-11-24(12-14-27)23-7-9-25(10-8-23)26-15-32(30-5-1-3-28(39-30)17-42(19-34(44)45)20-35(46)47)41-33(16-26)31-6-2-4-29(40-31)18-43(21-36(48)49)22-37(50)51;;/h1-16H,17-22,38H2,(H,44,45)(H,46,47)(H,48,49)(H,50,51);;/q;+3;+1/p-4
InChIKeyWPJHPWPASHGOEZ-UHFFFAOYSA-J
MW861.63 g/mol
LogP-4.27
Rot. Bonds16

About sodium;2-[[6-[4-[4-(4-aminophenyl)phenyl]-6-[6-[[bis(carboxylatomethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]methyl-(carboxylatomethyl)amino]acetate;europium(3+)

sodium;2-[[6-[4-[4-(4-aminophenyl)phenyl]-6-[6-[[bis(carboxylatomethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]methyl-(carboxylatomethyl)amino]acetate;europium(3+) (PubChem CID 44629911) has the molecular formula C37H30EuN6NaO8 and a molecular weight of 861.63 g/mol. Its IUPAC name is sodium;2-[[6-[4-[4-(4-aminophenyl)phenyl]-6-[6-[[bis(carboxylatomethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]methyl-(carboxylatomethyl)amino]acetate;europium(3+).

Molecular Properties

Compound Namesodium;2-[[6-[4-[4-(4-aminophenyl)phenyl]-6-[6-[[bis(carboxylatomethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]methyl-(carboxylatomethyl)amino]acetate;europium(3+)
PubChem CID44629911
Molecular FormulaC37H30EuN6NaO8
Molecular Weight861.63 g/mol
Exact Mass862.12
IUPAC Namesodium;2-[[6-[4-[4-(4-aminophenyl)phenyl]-6-[6-[[bis(carboxylatomethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]methyl-(carboxylatomethyl)amino]acetate;europium(3+)
SMILESNc1ccc(-c2ccc(-c3cc(-c4cccc(CN(CC(=O)[O-])CC(=O)[O-])n4)nc(-c4cccc(CN(CC(=O)[O-])CC(=O)[O-])n4)c3)cc2)cc1.[Eu+3].[Na+]
InChIInChI=1S/C37H34N6O8.Eu.Na/c38-27-13-11-24(12-14-27)23-7-9-25(10-8-23)26-15-32(30-5-1-3-28(39-30)17-42(19-34(44)45)20-35(46)47)41-33(16-26)31-6-2-4-29(40-31)18-43(21-36(48)49)22-37(50)51;;/h1-16H,17-22,38H2,(H,44,45)(H,46,47)(H,48,49)(H,50,51);;/q;+3;+1/p-4
InChIKeyWPJHPWPASHGOEZ-UHFFFAOYSA-J
XLogP-4.27
TPSA231.69 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.63
LogP ≤ 5-4.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;2-[[6-[4-[4-(4-aminophenyl)phenyl]-6-[6-[[bis(carboxylatomethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]methyl-(carboxylatomethyl)amino]acetate;europium(3+)?
The IUPAC name of sodium;2-[[6-[4-[4-(4-aminophenyl)phenyl]-6-[6-[[bis(carboxylatomethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]methyl-(carboxylatomethyl)amino]acetate;europium(3+) (CID 44629911) is sodium;2-[[6-[4-[4-(4-aminophenyl)phenyl]-6-[6-[[bis(carboxylatomethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]methyl-(carboxylatomethyl)amino]acetate;europium(3+).
What is the SMILES notation for sodium;2-[[6-[4-[4-(4-aminophenyl)phenyl]-6-[6-[[bis(carboxylatomethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]methyl-(carboxylatomethyl)amino]acetate;europium(3+)?
The canonical SMILES for sodium;2-[[6-[4-[4-(4-aminophenyl)phenyl]-6-[6-[[bis(carboxylatomethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]methyl-(carboxylatomethyl)amino]acetate;europium(3+) is Nc1ccc(-c2ccc(-c3cc(-c4cccc(CN(CC(=O)[O-])CC(=O)[O-])n4)nc(-c4cccc(CN(CC(=O)[O-])CC(=O)[O-])n4)c3)cc2)cc1.[Eu+3].[Na+].
What is the InChIKey of sodium;2-[[6-[4-[4-(4-aminophenyl)phenyl]-6-[6-[[bis(carboxylatomethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]methyl-(carboxylatomethyl)amino]acetate;europium(3+)?
The InChIKey is WPJHPWPASHGOEZ-UHFFFAOYSA-J. The full InChI is InChI=1S/C37H34N6O8.Eu.Na/c38-27-13-11-24(12-14-27)23-7-9-25(10-8-23)26-15-32(30-5-1-3-28(39-30)17-42(19-34(44)45)20-35(46)47)41-33(16-26)31-6-2-4-29(40-31)18-43(21-36(48)49)22-37(50)51;;/h1-16H,17-22,38H2,(H,44,45)(H,46,47)(H,48,49)(H,50,51);;/q;+3;+1/p-4.
What are the key properties of sodium;2-[[6-[4-[4-(4-aminophenyl)phenyl]-6-[6-[[bis(carboxylatomethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]methyl-(carboxylatomethyl)amino]acetate;europium(3+)?
sodium;2-[[6-[4-[4-(4-aminophenyl)phenyl]-6-[6-[[bis(carboxylatomethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]methyl-(carboxylatomethyl)amino]acetate;europium(3+) has a molecular weight of 861.63 g/mol, XLogP of -4.27, 16 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-[[6-[4-[4-(4-aminophenyl)phenyl]-6-[6-[[bis(carboxylatomethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]methyl-(carboxylatomethyl)amino]acetate;europium(3+) is sourced from PubChem (CID 44629911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).